ID 3N7AA STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 105 104 ASN A 119 118 SER G Protein S 3 FT #SUB 105 104 ASN A 122 121 ALA G Protein S 2 FT #SUB 105 104 ASN A 123 122 THR G Protein S 3 FT #SUB 107 106 HIS A 119 118 SER G Protein S 4 FT #SUB 107 106 HIS A 120 119 PRO G Protein B 3 FT #SUB 108 107 ALA A 120 119 PRO G Protein S 1 FT #SUB 114 113 ARG A 116 115 SER G Protein S 1 FT #SUB 114 113 ARG A 120 119 PRO G Protein S 3 FT #SUB 116 115 SER A 114 113 ARG G Protein B 1 FT #SUB 119 118 SER A 105 104 ASN G Protein B 3 FT #SUB 119 118 SER A 107 106 HIS G Protein A 4 FT #SUB 120 119 PRO A 107 106 HIS G Protein A 4 FT #SUB 120 119 PRO A 108 107 ALA G Protein B 1 FT #SUB 120 119 PRO A 114 113 ARG G Protein S 4 FT #SUB 122 121 ALA A 105 104 ASN G Protein B 2 FT #SUB 123 122 THR A 105 104 ASN G Protein B 2 FT #SUB 123 122 THR A 128 127 GLY G Protein B 4 FT #SUB 124 123 GLY A 127 126 VAL G Protein B 2 FT #SUB 124 123 GLY A 129 128 LEU G Protein B 2 FT #SUB 125 124 VAL A 125 124 VAL G Protein B 1 FT #SUB 125 124 VAL A 126 125 ILE G Protein B 2 FT #SUB 125 124 VAL A 127 126 VAL G Protein B 3 FT #SUB 126 125 ILE A 125 124 VAL G Protein B 2 FT #SUB 126 125 ILE A 129 128 LEU G Protein S 2 FT #SUB 127 126 VAL A 124 123 GLY G Protein B 2 FT #SUB 127 126 VAL A 125 124 VAL G Protein B 3 FT #SUB 128 127 GLY A 123 122 THR G Protein B 4 FT #SUB 129 128 LEU A 124 123 GLY G Protein S 1 FT #SUB 129 128 LEU A 126 125 ILE G Protein S 2 FT #SUB 129 128 LEU A 140 139 TYR G Protein A 5 FT #SUB 132 131 GLN A 139 138 ARG G Protein S 3 FT #SUB 132 131 GLN A 140 139 TYR G Protein S 5 FT #SUB 132 131 GLN A 143 142 GLU G Protein S 1 FT #SUB 136 135 LEU A 136 135 LEU G Protein A 4 FT #SUB 136 135 LEU A 139 138 ARG G Protein S 1 FT #SUB 139 138 ARG A 132 131 GLN G Protein B 2 FT #SUB 139 138 ARG A 139 138 ARG G Protein S 16 FT #SUB 140 139 TYR A 129 128 LEU G Protein S 6 FT #SUB 140 139 TYR A 132 131 GLN G Protein B 2 FT #SUB 143 142 GLU A 132 131 GLN G Protein S 1 FT #SUB 56 55 GLU A 80 79 LEU K Protein S 1 FT #SUB 57 56 ALA A 54 53 ASP K Protein S 1 FT #SUB 57 56 ALA A 55 54 SER K Protein S 2 FT #SUB 60 59 LEU A 12 11 PRO K Protein S 1 FT #SUB 60 59 LEU A 13 12 ASN K Protein S 1 FT #SUB 60 59 LEU A 54 53 ASP K Protein S 1 FT #SUB 64 63 HIS A 13 12 ASN K Protein S 4 FT #SUB 64 63 HIS A 16 15 ARG K Protein A 16 FT #SUB 64 63 HIS A 54 53 ASP K Protein S 2 FT #SUB 67 66 ALA A 16 15 ARG K Protein S 1 FT #SUB 67 66 ALA A 20 19 ARG K Protein B 2 FT #SUB 68 67 ASP A 16 15 ARG K Protein S 8 FT #SUB 68 67 ASP A 20 19 ARG K Protein A 4 FT #SUB 83 82 THR A 83 82 THR K Protein B 2 FT #SUB 85 84 VAL A 79 78 GLY K Protein S 2 FT #SUB 85 84 VAL A 83 82 THR K Protein S 1 FT #SUB 85 84 VAL A 112 111 PHE K Protein S 2 FT #SUB 85 84 VAL A 113 112 ARG K Protein S 1 FT #SUB 86 85 ALA A 12 11 PRO K Protein S 2 FT #SUB 86 85 ALA A 13 12 ASN K Protein B 2 FT #SUB 88 87 ARG A 110 109 GLU K Protein S 1 FT #SUB 88 87 ARG A 112 111 PHE K Protein S 6 FT #SUB 89 88 ASP A 13 12 ASN K Protein S 1 FT #SUB 89 88 ASP A 113 112 ARG K Protein S 8 FT #SUB 90 89 ALA A 13 12 ASN K Protein A 3 FT #SUB 93 92 GLU A 16 15 ARG K Protein S 6 FT #SUB 93 92 GLU A 20 19 ARG K Protein A 8 FT #SUB 117 116 TYR A 112 111 PHE K Protein S 1 FT #SUB 12 11 PRO A 60 59 LEU L Protein S 1 FT #SUB 12 11 PRO A 86 85 ALA L Protein S 1 FT #SUB 13 12 ASN A 60 59 LEU L Protein S 1 FT #SUB 13 12 ASN A 64 63 HIS L Protein S 4 FT #SUB 13 12 ASN A 86 85 ALA L Protein S 3 FT #SUB 13 12 ASN A 89 88 ASP L Protein S 1 FT #SUB 13 12 ASN A 90 89 ALA L Protein S 2 FT #SUB 16 15 ARG A 64 63 HIS L Protein S 15 FT #SUB 16 15 ARG A 67 66 ALA L Protein S 1 FT #SUB 16 15 ARG A 68 67 ASP L Protein S 8 FT #SUB 16 15 ARG A 93 92 GLU L Protein S 5 FT #SUB 20 19 ARG A 67 66 ALA L Protein S 4 FT #SUB 20 19 ARG A 68 67 ASP L Protein S 2 FT #SUB 20 19 ARG A 93 92 GLU L Protein S 7 FT #SUB 54 53 ASP A 57 56 ALA L Protein B 2 FT #SUB 54 53 ASP A 60 59 LEU L Protein A 2 FT #SUB 54 53 ASP A 64 63 HIS L Protein S 2 FT #SUB 79 78 GLY A 85 84 VAL L Protein B 3 FT #SUB 83 82 THR A 83 82 THR L Protein S 2 FT #SUB 83 82 THR A 85 84 VAL L Protein S 1 FT #SUB 110 109 GLU A 88 87 ARG L Protein S 2 FT #SUB 112 111 PHE A 85 84 VAL L Protein S 2 FT #SUB 112 111 PHE A 88 87 ARG L Protein S 7 FT #SUB 112 111 PHE A 117 116 TYR L Protein S 2 FT #SUB 113 112 ARG A 85 84 VAL L Protein S 1 FT #SUB 113 112 ARG A 89 88 ASP L Protein S 8 FT #HET 25 24 TYR A 1 147 FA1 A S 6 FT #HET 76 75 ASN A 1 147 FA1 A S 8 FT #HET 78 77 GLY A 1 147 FA1 A B 8 FT #HET 79 78 GLY A 1 147 FA1 A B 2 FT #HET 82 81 HIS A 1 147 FA1 A S 4 FT #HET 85 84 VAL A 16 147 FA1 K S 1 FT #HET 89 88 ASP A 16 147 FA1 K S 4 FT #HET 102 101 HIS A 1 147 FA1 A A 10 FT #HET 103 102 ILE A 1 147 FA1 A A 7 FT #HET 104 103 SER A 1 147 FA1 A A 7 FT #HET 106 105 VAL A 1 147 FA1 A S 1 FT #HET 113 112 ARG A 1 147 FA1 A S 7 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AB STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 57 56 ALA B 54 53 ASP C Protein A 3 FT #SUB 57 56 ALA B 55 54 SER C Protein S 2 FT #SUB 60 59 LEU B 12 11 PRO C Protein S 1 FT #SUB 64 63 HIS B 13 12 ASN C Protein S 4 FT #SUB 64 63 HIS B 16 15 ARG C Protein A 11 FT #SUB 64 63 HIS B 54 53 ASP C Protein S 2 FT #SUB 67 66 ALA B 16 15 ARG C Protein S 1 FT #SUB 68 67 ASP B 16 15 ARG C Protein S 9 FT #SUB 68 67 ASP B 21 20 GLU C Protein S 2 FT #SUB 83 82 THR B 83 82 THR C Protein B 2 FT #SUB 85 84 VAL B 79 78 GLY C Protein S 3 FT #SUB 85 84 VAL B 83 82 THR C Protein S 1 FT #SUB 85 84 VAL B 112 111 PHE C Protein S 1 FT #SUB 85 84 VAL B 113 112 ARG C Protein S 1 FT #SUB 86 85 ALA B 12 11 PRO C Protein S 2 FT #SUB 86 85 ALA B 13 12 ASN C Protein B 3 FT #SUB 86 85 ALA B 79 78 GLY C Protein B 1 FT #SUB 88 87 ARG B 110 109 GLU C Protein S 3 FT #SUB 88 87 ARG B 112 111 PHE C Protein S 5 FT #SUB 89 88 ASP B 13 12 ASN C Protein S 1 FT #SUB 89 88 ASP B 113 112 ARG C Protein S 8 FT #SUB 90 89 ALA B 13 12 ASN C Protein A 2 FT #SUB 93 92 GLU B 16 15 ARG C Protein S 3 FT #SUB 93 92 GLU B 21 20 GLU C Protein A 3 FT #SUB 117 116 TYR B 112 111 PHE C Protein S 2 FT #SUB 12 11 PRO B 86 85 ALA E Protein S 1 FT #SUB 13 12 ASN B 64 63 HIS E Protein S 4 FT #SUB 13 12 ASN B 86 85 ALA E Protein S 4 FT #SUB 13 12 ASN B 89 88 ASP E Protein S 1 FT #SUB 13 12 ASN B 90 89 ALA E Protein S 2 FT #SUB 16 15 ARG B 64 63 HIS E Protein S 15 FT #SUB 16 15 ARG B 67 66 ALA E Protein S 1 FT #SUB 16 15 ARG B 68 67 ASP E Protein S 8 FT #SUB 16 15 ARG B 93 92 GLU E Protein S 5 FT #SUB 19 18 ARG B 68 67 ASP E Protein S 1 FT #SUB 20 19 ARG B 67 66 ALA E Protein S 2 FT #SUB 20 19 ARG B 68 67 ASP E Protein S 5 FT #SUB 20 19 ARG B 93 92 GLU E Protein S 5 FT #SUB 54 53 ASP B 57 56 ALA E Protein B 2 FT #SUB 54 53 ASP B 60 59 LEU E Protein B 1 FT #SUB 54 53 ASP B 64 63 HIS E Protein S 2 FT #SUB 55 54 SER B 57 56 ALA E Protein B 1 FT #SUB 79 78 GLY B 85 84 VAL E Protein B 3 FT #SUB 83 82 THR B 83 82 THR E Protein S 2 FT #SUB 83 82 THR B 85 84 VAL E Protein S 2 FT #SUB 112 111 PHE B 85 84 VAL E Protein S 1 FT #SUB 112 111 PHE B 88 87 ARG E Protein S 8 FT #SUB 112 111 PHE B 117 116 TYR E Protein S 1 FT #SUB 113 112 ARG B 85 84 VAL E Protein S 1 FT #SUB 113 112 ARG B 89 88 ASP E Protein S 8 FT #SUB 99 98 ILE B 129 128 LEU F Protein S 1 FT #SUB 105 104 ASN B 119 118 SER F Protein S 3 FT #SUB 105 104 ASN B 122 121 ALA F Protein S 2 FT #SUB 105 104 ASN B 123 122 THR F Protein S 2 FT #SUB 107 106 HIS B 119 118 SER F Protein S 4 FT #SUB 107 106 HIS B 120 119 PRO F Protein B 4 FT #SUB 108 107 ALA B 120 119 PRO F Protein S 1 FT #SUB 114 113 ARG B 116 115 SER F Protein S 1 FT #SUB 114 113 ARG B 120 119 PRO F Protein S 2 FT #SUB 116 115 SER B 114 113 ARG F Protein B 1 FT #SUB 119 118 SER B 105 104 ASN F Protein B 3 FT #SUB 119 118 SER B 107 106 HIS F Protein A 4 FT #SUB 120 119 PRO B 107 106 HIS F Protein A 4 FT #SUB 120 119 PRO B 108 107 ALA F Protein B 2 FT #SUB 120 119 PRO B 114 113 ARG F Protein S 3 FT #SUB 122 121 ALA B 105 104 ASN F Protein B 2 FT #SUB 123 122 THR B 105 104 ASN F Protein B 2 FT #SUB 123 122 THR B 128 127 GLY F Protein B 4 FT #SUB 124 123 GLY B 127 126 VAL F Protein B 2 FT #SUB 124 123 GLY B 129 128 LEU F Protein B 1 FT #SUB 125 124 VAL B 125 124 VAL F Protein B 1 FT #SUB 125 124 VAL B 126 125 ILE F Protein B 2 FT #SUB 125 124 VAL B 127 126 VAL F Protein B 6 FT #SUB 126 125 ILE B 125 124 VAL F Protein B 2 FT #SUB 126 125 ILE B 129 128 LEU F Protein S 2 FT #SUB 127 126 VAL B 124 123 GLY F Protein B 2 FT #SUB 127 126 VAL B 125 124 VAL F Protein B 3 FT #SUB 128 127 GLY B 123 122 THR F Protein B 4 FT #SUB 128 127 GLY B 124 123 GLY F Protein B 2 FT #SUB 129 128 LEU B 124 123 GLY F Protein S 1 FT #SUB 129 128 LEU B 126 125 ILE F Protein S 2 FT #SUB 129 128 LEU B 140 139 TYR F Protein A 6 FT #SUB 132 131 GLN B 139 138 ARG F Protein S 2 FT #SUB 132 131 GLN B 140 139 TYR F Protein S 9 FT #SUB 132 131 GLN B 143 142 GLU F Protein S 2 FT #SUB 136 135 LEU B 136 135 LEU F Protein A 5 FT #SUB 136 135 LEU B 139 138 ARG F Protein S 1 FT #SUB 139 138 ARG B 132 131 GLN F Protein B 2 FT #SUB 139 138 ARG B 136 135 LEU F Protein S 2 FT #SUB 139 138 ARG B 139 138 ARG F Protein S 13 FT #SUB 140 139 TYR B 129 128 LEU F Protein S 10 FT #SUB 140 139 TYR B 132 131 GLN F Protein A 6 FT #SUB 143 142 GLU B 132 131 GLN F Protein S 7 FT #SUB 144 143 HIS B 132 131 GLN F Protein S 2 FT #HET 13 12 ASN B 2 147 GOL B A 5 FT #HET 14 13 LEU B 2 147 GOL B B 1 FT #HET 16 15 ARG B 2 147 GOL B B 6 FT #HET 17 16 LEU B 2 147 GOL B B 5 FT #HET 18 17 GLY B 2 147 GOL B B 1 FT #HET 19 18 ARG B 2 147 GOL B B 1 FT #HET 20 19 ARG B 2 147 GOL B B 3 FT #HET 25 24 TYR B 2 147 GOL B S 2 FT #HET 25 24 TYR B 3 148 FA1 B S 7 FT #HET 76 75 ASN B 3 148 FA1 B S 9 FT #HET 78 77 GLY B 3 148 FA1 B B 7 FT #HET 79 78 GLY B 3 148 FA1 B B 2 FT #HET 82 81 HIS B 3 148 FA1 B S 4 FT #HET 89 88 ASP B 4 147 FA1 C S 3 FT #HET 102 101 HIS B 3 148 FA1 B A 12 FT #HET 103 102 ILE B 3 148 FA1 B A 9 FT #HET 104 103 SER B 3 148 FA1 B A 8 FT #HET 106 105 VAL B 3 148 FA1 B S 1 FT #HET 113 112 ARG B 3 148 FA1 B S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AC STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 12 11 PRO C 60 59 LEU B Protein S 1 FT #SUB 12 11 PRO C 86 85 ALA B Protein S 2 FT #SUB 13 12 ASN C 64 63 HIS B Protein S 4 FT #SUB 13 12 ASN C 86 85 ALA B Protein S 3 FT #SUB 13 12 ASN C 89 88 ASP B Protein S 1 FT #SUB 13 12 ASN C 90 89 ALA B Protein S 2 FT #SUB 16 15 ARG C 64 63 HIS B Protein S 11 FT #SUB 16 15 ARG C 67 66 ALA B Protein S 1 FT #SUB 16 15 ARG C 68 67 ASP B Protein S 9 FT #SUB 16 15 ARG C 93 92 GLU B Protein S 3 FT #SUB 21 20 GLU C 68 67 ASP B Protein B 2 FT #SUB 21 20 GLU C 93 92 GLU B Protein A 3 FT #SUB 54 53 ASP C 57 56 ALA B Protein B 3 FT #SUB 54 53 ASP C 64 63 HIS B Protein S 2 FT #SUB 55 54 SER C 57 56 ALA B Protein A 2 FT #SUB 79 78 GLY C 85 84 VAL B Protein B 3 FT #SUB 79 78 GLY C 86 85 ALA B Protein B 1 FT #SUB 83 82 THR C 83 82 THR B Protein S 2 FT #SUB 83 82 THR C 85 84 VAL B Protein S 1 FT #SUB 110 109 GLU C 88 87 ARG B Protein S 3 FT #SUB 112 111 PHE C 85 84 VAL B Protein S 1 FT #SUB 112 111 PHE C 88 87 ARG B Protein S 5 FT #SUB 112 111 PHE C 117 116 TYR B Protein S 2 FT #SUB 113 112 ARG C 85 84 VAL B Protein S 1 FT #SUB 113 112 ARG C 89 88 ASP B Protein S 8 FT #SUB 56 55 GLU C 80 79 LEU E Protein S 1 FT #SUB 57 56 ALA C 54 53 ASP E Protein A 3 FT #SUB 57 56 ALA C 55 54 SER E Protein S 2 FT #SUB 60 59 LEU C 54 53 ASP E Protein S 1 FT #SUB 64 63 HIS C 13 12 ASN E Protein S 4 FT #SUB 64 63 HIS C 16 15 ARG E Protein A 11 FT #SUB 64 63 HIS C 54 53 ASP E Protein S 2 FT #SUB 67 66 ALA C 16 15 ARG E Protein S 1 FT #SUB 67 66 ALA C 20 19 ARG E Protein B 2 FT #SUB 68 67 ASP C 16 15 ARG E Protein S 8 FT #SUB 68 67 ASP C 20 19 ARG E Protein A 5 FT #SUB 83 82 THR C 83 82 THR E Protein B 2 FT #SUB 85 84 VAL C 79 78 GLY E Protein S 2 FT #SUB 85 84 VAL C 83 82 THR E Protein A 2 FT #SUB 85 84 VAL C 112 111 PHE E Protein S 3 FT #SUB 85 84 VAL C 113 112 ARG E Protein S 1 FT #SUB 86 85 ALA C 12 11 PRO E Protein S 1 FT #SUB 86 85 ALA C 13 12 ASN E Protein B 3 FT #SUB 86 85 ALA C 79 78 GLY E Protein B 1 FT #SUB 88 87 ARG C 112 111 PHE E Protein S 7 FT #SUB 89 88 ASP C 13 12 ASN E Protein S 1 FT #SUB 89 88 ASP C 113 112 ARG E Protein S 8 FT #SUB 90 89 ALA C 13 12 ASN E Protein S 1 FT #SUB 93 92 GLU C 16 15 ARG E Protein S 3 FT #SUB 93 92 GLU C 20 19 ARG E Protein A 4 FT #SUB 117 116 TYR C 112 111 PHE E Protein S 2 FT #SUB 105 104 ASN C 119 118 SER H Protein S 3 FT #SUB 105 104 ASN C 122 121 ALA H Protein S 3 FT #SUB 105 104 ASN C 123 122 THR H Protein S 2 FT #SUB 107 106 HIS C 119 118 SER H Protein S 4 FT #SUB 107 106 HIS C 120 119 PRO H Protein B 4 FT #SUB 108 107 ALA C 120 119 PRO H Protein S 1 FT #SUB 114 113 ARG C 116 115 SER H Protein S 1 FT #SUB 114 113 ARG C 120 119 PRO H Protein S 1 FT #SUB 116 115 SER C 114 113 ARG H Protein B 1 FT #SUB 119 118 SER C 105 104 ASN H Protein B 3 FT #SUB 119 118 SER C 107 106 HIS H Protein A 4 FT #SUB 120 119 PRO C 107 106 HIS H Protein A 4 FT #SUB 120 119 PRO C 108 107 ALA H Protein B 1 FT #SUB 120 119 PRO C 114 113 ARG H Protein S 1 FT #SUB 122 121 ALA C 105 104 ASN H Protein B 2 FT #SUB 123 122 THR C 105 104 ASN H Protein B 2 FT #SUB 123 122 THR C 128 127 GLY H Protein B 4 FT #SUB 124 123 GLY C 127 126 VAL H Protein B 2 FT #SUB 124 123 GLY C 129 128 LEU H Protein B 2 FT #SUB 125 124 VAL C 125 124 VAL H Protein B 1 FT #SUB 125 124 VAL C 126 125 ILE H Protein B 2 FT #SUB 125 124 VAL C 127 126 VAL H Protein B 3 FT #SUB 126 125 ILE C 125 124 VAL H Protein B 2 FT #SUB 127 126 VAL C 124 123 GLY H Protein B 2 FT #SUB 127 126 VAL C 125 124 VAL H Protein B 4 FT #SUB 128 127 GLY C 123 122 THR H Protein B 4 FT #SUB 128 127 GLY C 124 123 GLY H Protein B 1 FT #SUB 129 128 LEU C 124 123 GLY H Protein S 2 FT #SUB 129 128 LEU C 140 139 TYR H Protein A 6 FT #SUB 132 131 GLN C 139 138 ARG H Protein S 3 FT #SUB 132 131 GLN C 140 139 TYR H Protein S 6 FT #SUB 132 131 GLN C 143 142 GLU H Protein S 4 FT #SUB 136 135 LEU C 136 135 LEU H Protein A 4 FT #SUB 136 135 LEU C 139 138 ARG H Protein S 1 FT #SUB 139 138 ARG C 132 131 GLN H Protein A 3 FT #SUB 139 138 ARG C 136 135 LEU H Protein S 3 FT #SUB 139 138 ARG C 139 138 ARG H Protein S 16 FT #SUB 140 139 TYR C 129 128 LEU H Protein S 6 FT #SUB 140 139 TYR C 132 131 GLN H Protein A 7 FT #SUB 140 139 TYR C 136 135 LEU H Protein S 1 FT #SUB 143 142 GLU C 132 131 GLN H Protein S 2 FT #HET 25 24 TYR C 4 147 FA1 C S 6 FT #HET 76 75 ASN C 4 147 FA1 C S 8 FT #HET 78 77 GLY C 4 147 FA1 C B 7 FT #HET 79 78 GLY C 4 147 FA1 C B 3 FT #HET 82 81 HIS C 4 147 FA1 C S 4 FT #HET 89 88 ASP C 7 148 FA1 E S 2 FT #HET 93 92 GLU C 6 147 GOL E S 1 FT #HET 102 101 HIS C 4 147 FA1 C A 12 FT #HET 103 102 ILE C 4 147 FA1 C A 8 FT #HET 104 103 SER C 4 147 FA1 C A 5 FT #HET 106 105 VAL C 4 147 FA1 C S 2 FT #HET 113 112 ARG C 4 147 FA1 C S 6 FT DISORDER 1 3 FT DISORDER 22 23 FT DISORDER 145 147 CC SEQUENCE 139 AA (ATOM); CC LIVNVINGPN LGRLGRREVY GGTTHDELVA LIEREAAELG LKAVVRQSDS EAQLLDWIHQ CC AADAAEPVIL NAGGLTHTSV ALRDACAELS APLIEVHISN VHAREEFRRH SYLSPIATGV CC IVGLGIQGYL LALRYLAEH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRRE--VYGGTTHDELVALIEREAAELGLKAVV CC ****************** *************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AD STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 57 56 ALA D 54 53 ASP F Protein S 1 FT #SUB 60 59 LEU D 12 11 PRO F Protein S 1 FT #SUB 60 59 LEU D 13 12 ASN F Protein S 1 FT #SUB 60 59 LEU D 54 53 ASP F Protein S 1 FT #SUB 64 63 HIS D 13 12 ASN F Protein S 3 FT #SUB 64 63 HIS D 16 15 ARG F Protein S 12 FT #SUB 64 63 HIS D 54 53 ASP F Protein S 2 FT #SUB 67 66 ALA D 16 15 ARG F Protein S 1 FT #SUB 68 67 ASP D 16 15 ARG F Protein S 6 FT #SUB 68 67 ASP D 19 18 ARG F Protein S 1 FT #SUB 83 82 THR D 83 82 THR F Protein B 2 FT #SUB 85 84 VAL D 79 78 GLY F Protein S 3 FT #SUB 85 84 VAL D 83 82 THR F Protein S 1 FT #SUB 85 84 VAL D 112 111 PHE F Protein S 3 FT #SUB 85 84 VAL D 113 112 ARG F Protein S 1 FT #SUB 86 85 ALA D 12 11 PRO F Protein S 1 FT #SUB 86 85 ALA D 13 12 ASN F Protein B 3 FT #SUB 88 87 ARG D 110 109 GLU F Protein S 1 FT #SUB 88 87 ARG D 112 111 PHE F Protein S 6 FT #SUB 89 88 ASP D 13 12 ASN F Protein S 1 FT #SUB 89 88 ASP D 113 112 ARG F Protein S 8 FT #SUB 90 89 ALA D 13 12 ASN F Protein A 2 FT #SUB 92 91 ALA D 20 19 ARG F Protein B 3 FT #SUB 93 92 GLU D 16 15 ARG F Protein S 6 FT #SUB 93 92 GLU D 20 19 ARG F Protein A 4 FT #SUB 117 116 TYR D 112 111 PHE F Protein S 2 FT #SUB 12 11 PRO D 60 59 LEU G Protein S 1 FT #SUB 12 11 PRO D 86 85 ALA G Protein S 1 FT #SUB 13 12 ASN D 60 59 LEU G Protein S 1 FT #SUB 13 12 ASN D 64 63 HIS G Protein S 4 FT #SUB 13 12 ASN D 86 85 ALA G Protein S 3 FT #SUB 13 12 ASN D 89 88 ASP G Protein S 1 FT #SUB 13 12 ASN D 90 89 ALA G Protein S 2 FT #SUB 16 15 ARG D 64 63 HIS G Protein S 10 FT #SUB 16 15 ARG D 67 66 ALA G Protein S 1 FT #SUB 16 15 ARG D 68 67 ASP G Protein S 8 FT #SUB 16 15 ARG D 93 92 GLU G Protein S 5 FT #SUB 20 19 ARG D 67 66 ALA G Protein S 1 FT #SUB 20 19 ARG D 68 67 ASP G Protein S 1 FT #SUB 20 19 ARG D 93 92 GLU G Protein S 9 FT #SUB 54 53 ASP D 57 56 ALA G Protein B 3 FT #SUB 54 53 ASP D 60 59 LEU G Protein B 1 FT #SUB 54 53 ASP D 64 63 HIS G Protein S 3 FT #SUB 55 54 SER D 57 56 ALA G Protein B 1 FT #SUB 79 78 GLY D 85 84 VAL G Protein B 3 FT #SUB 83 82 THR D 83 82 THR G Protein S 2 FT #SUB 83 82 THR D 85 84 VAL G Protein S 1 FT #SUB 110 109 GLU D 88 87 ARG G Protein S 2 FT #SUB 112 111 PHE D 85 84 VAL G Protein S 3 FT #SUB 112 111 PHE D 88 87 ARG G Protein S 7 FT #SUB 112 111 PHE D 117 116 TYR G Protein S 2 FT #SUB 113 112 ARG D 85 84 VAL G Protein S 1 FT #SUB 113 112 ARG D 89 88 ASP G Protein S 8 FT #SUB 99 98 ILE D 129 128 LEU I Protein S 1 FT #SUB 105 104 ASN D 119 118 SER I Protein S 3 FT #SUB 105 104 ASN D 122 121 ALA I Protein S 2 FT #SUB 105 104 ASN D 123 122 THR I Protein S 2 FT #SUB 107 106 HIS D 119 118 SER I Protein S 5 FT #SUB 107 106 HIS D 120 119 PRO I Protein B 5 FT #SUB 108 107 ALA D 120 119 PRO I Protein S 1 FT #SUB 114 113 ARG D 116 115 SER I Protein S 1 FT #SUB 114 113 ARG D 119 118 SER I Protein S 1 FT #SUB 114 113 ARG D 120 119 PRO I Protein S 3 FT #SUB 116 115 SER D 114 113 ARG I Protein B 1 FT #SUB 119 118 SER D 105 104 ASN I Protein B 3 FT #SUB 119 118 SER D 107 106 HIS I Protein A 4 FT #SUB 120 119 PRO D 107 106 HIS I Protein A 4 FT #SUB 120 119 PRO D 108 107 ALA I Protein B 1 FT #SUB 120 119 PRO D 114 113 ARG I Protein S 1 FT #SUB 122 121 ALA D 105 104 ASN I Protein B 2 FT #SUB 123 122 THR D 105 104 ASN I Protein B 2 FT #SUB 123 122 THR D 128 127 GLY I Protein B 4 FT #SUB 124 123 GLY D 127 126 VAL I Protein B 2 FT #SUB 124 123 GLY D 129 128 LEU I Protein B 2 FT #SUB 125 124 VAL D 125 124 VAL I Protein B 1 FT #SUB 125 124 VAL D 126 125 ILE I Protein B 2 FT #SUB 125 124 VAL D 127 126 VAL I Protein B 4 FT #SUB 126 125 ILE D 125 124 VAL I Protein B 2 FT #SUB 126 125 ILE D 129 128 LEU I Protein S 1 FT #SUB 127 126 VAL D 124 123 GLY I Protein B 2 FT #SUB 127 126 VAL D 125 124 VAL I Protein B 4 FT #SUB 128 127 GLY D 123 122 THR I Protein B 3 FT #SUB 129 128 LEU D 124 123 GLY I Protein S 1 FT #SUB 129 128 LEU D 126 125 ILE I Protein S 2 FT #SUB 129 128 LEU D 140 139 TYR I Protein A 9 FT #SUB 132 131 GLN D 139 138 ARG I Protein S 2 FT #SUB 132 131 GLN D 140 139 TYR I Protein S 8 FT #SUB 132 131 GLN D 143 142 GLU I Protein S 3 FT #SUB 136 135 LEU D 136 135 LEU I Protein A 4 FT #SUB 136 135 LEU D 139 138 ARG I Protein S 1 FT #SUB 139 138 ARG D 132 131 GLN I Protein B 2 FT #SUB 139 138 ARG D 136 135 LEU I Protein S 3 FT #SUB 139 138 ARG D 139 138 ARG I Protein S 16 FT #SUB 140 139 TYR D 129 128 LEU I Protein S 8 FT #SUB 140 139 TYR D 132 131 GLN I Protein A 4 FT #SUB 143 142 GLU D 132 131 GLN I Protein S 2 FT #HET 25 24 TYR D 5 147 FA1 D S 4 FT #HET 76 75 ASN D 5 147 FA1 D S 8 FT #HET 78 77 GLY D 5 147 FA1 D B 5 FT #HET 79 78 GLY D 5 147 FA1 D B 2 FT #HET 82 81 HIS D 5 147 FA1 D S 3 FT #HET 89 88 ASP D 8 147 FA1 F S 4 FT #HET 102 101 HIS D 5 147 FA1 D A 11 FT #HET 103 102 ILE D 5 147 FA1 D A 7 FT #HET 104 103 SER D 5 147 FA1 D A 7 FT #HET 106 105 VAL D 5 147 FA1 D S 1 FT #HET 113 112 ARG D 5 147 FA1 D S 7 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AE STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 57 56 ALA E 54 53 ASP B Protein A 2 FT #SUB 57 56 ALA E 55 54 SER B Protein S 1 FT #SUB 60 59 LEU E 54 53 ASP B Protein S 1 FT #SUB 64 63 HIS E 13 12 ASN B Protein S 4 FT #SUB 64 63 HIS E 16 15 ARG B Protein A 15 FT #SUB 64 63 HIS E 54 53 ASP B Protein S 2 FT #SUB 67 66 ALA E 16 15 ARG B Protein S 1 FT #SUB 67 66 ALA E 20 19 ARG B Protein B 2 FT #SUB 68 67 ASP E 16 15 ARG B Protein S 8 FT #SUB 68 67 ASP E 19 18 ARG B Protein S 1 FT #SUB 68 67 ASP E 20 19 ARG B Protein A 5 FT #SUB 83 82 THR E 83 82 THR B Protein B 2 FT #SUB 85 84 VAL E 79 78 GLY B Protein S 3 FT #SUB 85 84 VAL E 83 82 THR B Protein A 2 FT #SUB 85 84 VAL E 112 111 PHE B Protein S 1 FT #SUB 85 84 VAL E 113 112 ARG B Protein S 1 FT #SUB 86 85 ALA E 12 11 PRO B Protein S 1 FT #SUB 86 85 ALA E 13 12 ASN B Protein B 4 FT #SUB 88 87 ARG E 112 111 PHE B Protein S 8 FT #SUB 89 88 ASP E 13 12 ASN B Protein S 1 FT #SUB 89 88 ASP E 113 112 ARG B Protein S 8 FT #SUB 90 89 ALA E 13 12 ASN B Protein A 2 FT #SUB 93 92 GLU E 16 15 ARG B Protein S 5 FT #SUB 93 92 GLU E 20 19 ARG B Protein S 5 FT #SUB 117 116 TYR E 112 111 PHE B Protein S 1 FT #SUB 12 11 PRO E 86 85 ALA C Protein S 1 FT #SUB 13 12 ASN E 64 63 HIS C Protein S 4 FT #SUB 13 12 ASN E 86 85 ALA C Protein S 3 FT #SUB 13 12 ASN E 89 88 ASP C Protein S 1 FT #SUB 13 12 ASN E 90 89 ALA C Protein S 1 FT #SUB 16 15 ARG E 64 63 HIS C Protein S 11 FT #SUB 16 15 ARG E 67 66 ALA C Protein S 1 FT #SUB 16 15 ARG E 68 67 ASP C Protein S 8 FT #SUB 16 15 ARG E 93 92 GLU C Protein S 3 FT #SUB 20 19 ARG E 67 66 ALA C Protein S 2 FT #SUB 20 19 ARG E 68 67 ASP C Protein S 5 FT #SUB 20 19 ARG E 93 92 GLU C Protein S 4 FT #SUB 54 53 ASP E 57 56 ALA C Protein B 3 FT #SUB 54 53 ASP E 60 59 LEU C Protein B 1 FT #SUB 54 53 ASP E 64 63 HIS C Protein S 2 FT #SUB 55 54 SER E 57 56 ALA C Protein A 2 FT #SUB 79 78 GLY E 85 84 VAL C Protein B 2 FT #SUB 79 78 GLY E 86 85 ALA C Protein B 1 FT #SUB 80 79 LEU E 56 55 GLU C Protein S 1 FT #SUB 83 82 THR E 83 82 THR C Protein S 2 FT #SUB 83 82 THR E 85 84 VAL C Protein S 2 FT #SUB 112 111 PHE E 85 84 VAL C Protein S 3 FT #SUB 112 111 PHE E 88 87 ARG C Protein S 7 FT #SUB 112 111 PHE E 117 116 TYR C Protein S 2 FT #SUB 113 112 ARG E 85 84 VAL C Protein S 1 FT #SUB 113 112 ARG E 89 88 ASP C Protein S 8 FT #SUB 105 104 ASN E 119 118 SER K Protein S 3 FT #SUB 105 104 ASN E 122 121 ALA K Protein S 2 FT #SUB 105 104 ASN E 123 122 THR K Protein S 2 FT #SUB 107 106 HIS E 119 118 SER K Protein S 4 FT #SUB 107 106 HIS E 120 119 PRO K Protein B 4 FT #SUB 108 107 ALA E 120 119 PRO K Protein S 1 FT #SUB 114 113 ARG E 116 115 SER K Protein S 1 FT #SUB 114 113 ARG E 120 119 PRO K Protein S 3 FT #SUB 116 115 SER E 114 113 ARG K Protein B 1 FT #SUB 119 118 SER E 105 104 ASN K Protein B 3 FT #SUB 119 118 SER E 107 106 HIS K Protein A 4 FT #SUB 120 119 PRO E 107 106 HIS K Protein A 4 FT #SUB 120 119 PRO E 108 107 ALA K Protein B 1 FT #SUB 120 119 PRO E 114 113 ARG K Protein S 2 FT #SUB 122 121 ALA E 105 104 ASN K Protein B 2 FT #SUB 123 122 THR E 128 127 GLY K Protein B 4 FT #SUB 124 123 GLY E 127 126 VAL K Protein B 2 FT #SUB 124 123 GLY E 129 128 LEU K Protein B 1 FT #SUB 125 124 VAL E 125 124 VAL K Protein B 1 FT #SUB 125 124 VAL E 126 125 ILE K Protein B 2 FT #SUB 125 124 VAL E 127 126 VAL K Protein B 5 FT #SUB 126 125 ILE E 125 124 VAL K Protein B 2 FT #SUB 127 126 VAL E 124 123 GLY K Protein B 2 FT #SUB 127 126 VAL E 125 124 VAL K Protein B 6 FT #SUB 128 127 GLY E 123 122 THR K Protein B 4 FT #SUB 129 128 LEU E 99 98 ILE K Protein S 1 FT #SUB 129 128 LEU E 124 123 GLY K Protein S 1 FT #SUB 129 128 LEU E 126 125 ILE K Protein S 2 FT #SUB 129 128 LEU E 140 139 TYR K Protein A 6 FT #SUB 132 131 GLN E 139 138 ARG K Protein S 2 FT #SUB 132 131 GLN E 140 139 TYR K Protein S 7 FT #SUB 132 131 GLN E 143 142 GLU K Protein S 2 FT #SUB 132 131 GLN E 144 143 HIS K Protein S 1 FT #SUB 136 135 LEU E 136 135 LEU K Protein A 7 FT #SUB 139 138 ARG E 132 131 GLN K Protein A 3 FT #SUB 139 138 ARG E 136 135 LEU K Protein S 1 FT #SUB 139 138 ARG E 139 138 ARG K Protein S 13 FT #SUB 140 139 TYR E 129 128 LEU K Protein S 7 FT #SUB 140 139 TYR E 132 131 GLN K Protein A 8 FT #SUB 143 142 GLU E 132 131 GLN K Protein S 2 FT #HET 13 12 ASN E 6 147 GOL E A 4 FT #HET 16 15 ARG E 6 147 GOL E A 5 FT #HET 17 16 LEU E 6 147 GOL E B 2 FT #HET 18 17 GLY E 6 147 GOL E B 1 FT #HET 19 18 ARG E 6 147 GOL E B 2 FT #HET 20 19 ARG E 6 147 GOL E A 4 FT #HET 25 24 TYR E 6 147 GOL E S 4 FT #HET 25 24 TYR E 7 148 FA1 E S 8 FT #HET 76 75 ASN E 7 148 FA1 E S 7 FT #HET 78 77 GLY E 7 148 FA1 E B 9 FT #HET 79 78 GLY E 7 148 FA1 E B 2 FT #HET 82 81 HIS E 7 148 FA1 E S 4 FT #HET 89 88 ASP E 3 148 FA1 B S 3 FT #HET 93 92 GLU E 2 147 GOL B S 2 FT #HET 102 101 HIS E 7 148 FA1 E A 12 FT #HET 103 102 ILE E 7 148 FA1 E A 8 FT #HET 104 103 SER E 7 148 FA1 E A 10 FT #HET 106 105 VAL E 7 148 FA1 E S 2 FT #HET 113 112 ARG E 7 148 FA1 E S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AF STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 105 104 ASN F 119 118 SER B Protein S 3 FT #SUB 105 104 ASN F 122 121 ALA B Protein S 2 FT #SUB 105 104 ASN F 123 122 THR B Protein S 2 FT #SUB 107 106 HIS F 119 118 SER B Protein S 4 FT #SUB 107 106 HIS F 120 119 PRO B Protein B 4 FT #SUB 108 107 ALA F 120 119 PRO B Protein A 2 FT #SUB 114 113 ARG F 116 115 SER B Protein S 1 FT #SUB 114 113 ARG F 120 119 PRO B Protein S 3 FT #SUB 116 115 SER F 114 113 ARG B Protein B 1 FT #SUB 119 118 SER F 105 104 ASN B Protein B 3 FT #SUB 119 118 SER F 107 106 HIS B Protein A 4 FT #SUB 120 119 PRO F 107 106 HIS B Protein A 4 FT #SUB 120 119 PRO F 108 107 ALA B Protein B 1 FT #SUB 120 119 PRO F 114 113 ARG B Protein S 2 FT #SUB 122 121 ALA F 105 104 ASN B Protein B 2 FT #SUB 123 122 THR F 105 104 ASN B Protein B 2 FT #SUB 123 122 THR F 128 127 GLY B Protein B 4 FT #SUB 124 123 GLY F 127 126 VAL B Protein B 2 FT #SUB 124 123 GLY F 128 127 GLY B Protein B 2 FT #SUB 124 123 GLY F 129 128 LEU B Protein B 1 FT #SUB 125 124 VAL F 125 124 VAL B Protein B 1 FT #SUB 125 124 VAL F 126 125 ILE B Protein B 2 FT #SUB 125 124 VAL F 127 126 VAL B Protein B 3 FT #SUB 126 125 ILE F 125 124 VAL B Protein B 2 FT #SUB 126 125 ILE F 129 128 LEU B Protein S 2 FT #SUB 127 126 VAL F 124 123 GLY B Protein B 2 FT #SUB 127 126 VAL F 125 124 VAL B Protein A 6 FT #SUB 128 127 GLY F 123 122 THR B Protein B 4 FT #SUB 129 128 LEU F 99 98 ILE B Protein S 1 FT #SUB 129 128 LEU F 124 123 GLY B Protein S 1 FT #SUB 129 128 LEU F 126 125 ILE B Protein S 2 FT #SUB 129 128 LEU F 140 139 TYR B Protein A 10 FT #SUB 132 131 GLN F 139 138 ARG B Protein S 2 FT #SUB 132 131 GLN F 140 139 TYR B Protein S 6 FT #SUB 132 131 GLN F 143 142 GLU B Protein S 7 FT #SUB 132 131 GLN F 144 143 HIS B Protein S 2 FT #SUB 136 135 LEU F 136 135 LEU B Protein A 5 FT #SUB 136 135 LEU F 139 138 ARG B Protein S 2 FT #SUB 139 138 ARG F 132 131 GLN B Protein B 2 FT #SUB 139 138 ARG F 136 135 LEU B Protein S 1 FT #SUB 139 138 ARG F 139 138 ARG B Protein S 13 FT #SUB 140 139 TYR F 129 128 LEU B Protein S 6 FT #SUB 140 139 TYR F 132 131 GLN B Protein A 9 FT #SUB 143 142 GLU F 132 131 GLN B Protein S 2 FT #SUB 12 11 PRO F 60 59 LEU D Protein S 1 FT #SUB 12 11 PRO F 86 85 ALA D Protein S 1 FT #SUB 13 12 ASN F 60 59 LEU D Protein S 1 FT #SUB 13 12 ASN F 64 63 HIS D Protein S 3 FT #SUB 13 12 ASN F 86 85 ALA D Protein S 3 FT #SUB 13 12 ASN F 89 88 ASP D Protein S 1 FT #SUB 13 12 ASN F 90 89 ALA D Protein S 2 FT #SUB 16 15 ARG F 64 63 HIS D Protein S 12 FT #SUB 16 15 ARG F 67 66 ALA D Protein S 1 FT #SUB 16 15 ARG F 68 67 ASP D Protein S 6 FT #SUB 16 15 ARG F 93 92 GLU D Protein S 6 FT #SUB 19 18 ARG F 68 67 ASP D Protein S 1 FT #SUB 20 19 ARG F 92 91 ALA D Protein S 3 FT #SUB 20 19 ARG F 93 92 GLU D Protein S 4 FT #SUB 54 53 ASP F 57 56 ALA D Protein B 1 FT #SUB 54 53 ASP F 60 59 LEU D Protein S 1 FT #SUB 54 53 ASP F 64 63 HIS D Protein S 2 FT #SUB 79 78 GLY F 85 84 VAL D Protein B 3 FT #SUB 83 82 THR F 83 82 THR D Protein S 2 FT #SUB 83 82 THR F 85 84 VAL D Protein S 1 FT #SUB 110 109 GLU F 88 87 ARG D Protein S 1 FT #SUB 112 111 PHE F 85 84 VAL D Protein S 3 FT #SUB 112 111 PHE F 88 87 ARG D Protein S 6 FT #SUB 112 111 PHE F 117 116 TYR D Protein S 2 FT #SUB 113 112 ARG F 85 84 VAL D Protein S 1 FT #SUB 113 112 ARG F 89 88 ASP D Protein S 8 FT #SUB 57 56 ALA F 54 53 ASP G Protein A 3 FT #SUB 57 56 ALA F 55 54 SER G Protein S 2 FT #SUB 60 59 LEU F 12 11 PRO G Protein S 1 FT #SUB 60 59 LEU F 54 53 ASP G Protein S 2 FT #SUB 64 63 HIS F 13 12 ASN G Protein S 4 FT #SUB 64 63 HIS F 16 15 ARG G Protein A 9 FT #SUB 64 63 HIS F 54 53 ASP G Protein S 2 FT #SUB 67 66 ALA F 16 15 ARG G Protein S 1 FT #SUB 67 66 ALA F 20 19 ARG G Protein B 1 FT #SUB 68 67 ASP F 16 15 ARG G Protein S 6 FT #SUB 68 67 ASP F 19 18 ARG G Protein S 1 FT #SUB 68 67 ASP F 20 19 ARG G Protein S 1 FT #SUB 83 82 THR F 83 82 THR G Protein B 2 FT #SUB 85 84 VAL F 79 78 GLY G Protein S 3 FT #SUB 85 84 VAL F 83 82 THR G Protein A 2 FT #SUB 85 84 VAL F 112 111 PHE G Protein S 1 FT #SUB 85 84 VAL F 113 112 ARG G Protein S 1 FT #SUB 86 85 ALA F 12 11 PRO G Protein S 1 FT #SUB 86 85 ALA F 13 12 ASN G Protein B 3 FT #SUB 88 87 ARG F 110 109 GLU G Protein S 5 FT #SUB 88 87 ARG F 112 111 PHE G Protein S 8 FT #SUB 89 88 ASP F 113 112 ARG G Protein S 8 FT #SUB 90 89 ALA F 13 12 ASN G Protein A 2 FT #SUB 93 92 GLU F 16 15 ARG G Protein S 5 FT #SUB 93 92 GLU F 20 19 ARG G Protein A 6 FT #SUB 117 116 TYR F 112 111 PHE G Protein S 1 FT #HET 76 75 ASN F 8 147 FA1 F S 7 FT #HET 78 77 GLY F 8 147 FA1 F B 7 FT #HET 79 78 GLY F 8 147 FA1 F B 2 FT #HET 82 81 HIS F 8 147 FA1 F S 4 FT #HET 89 88 ASP F 10 148 FA1 G S 2 FT #HET 102 101 HIS F 8 147 FA1 F A 11 FT #HET 103 102 ILE F 8 147 FA1 F A 8 FT #HET 104 103 SER F 8 147 FA1 F A 9 FT #HET 106 105 VAL F 8 147 FA1 F S 1 FT #HET 113 112 ARG F 8 147 FA1 F S 7 FT DISORDER 1 3 FT DISORDER 22 25 FT DISORDER 145 147 CC SEQUENCE 137 AA (ATOM); CC LIVNVINGPN LGRLGRREGG TTHDELVALI EREAAELGLK AVVRQSDSEA QLLDWIHQAA CC DAAEPVILNA GGLTHTSVAL RDACAELSAP LIEVHISNVH AREEFRRHSY LSPIATGVIV CC GLGIQGYLLA LRYLAEH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRRE----GGTTHDELVALIEREAAELGLKAVV CC ****************** ************************* CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AG STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 105 104 ASN G 119 118 SER A Protein S 3 FT #SUB 105 104 ASN G 122 121 ALA A Protein S 2 FT #SUB 105 104 ASN G 123 122 THR A Protein S 2 FT #SUB 107 106 HIS G 119 118 SER A Protein S 4 FT #SUB 107 106 HIS G 120 119 PRO A Protein B 4 FT #SUB 108 107 ALA G 120 119 PRO A Protein S 1 FT #SUB 114 113 ARG G 116 115 SER A Protein S 1 FT #SUB 114 113 ARG G 120 119 PRO A Protein S 4 FT #SUB 116 115 SER G 114 113 ARG A Protein B 1 FT #SUB 119 118 SER G 105 104 ASN A Protein B 3 FT #SUB 119 118 SER G 107 106 HIS A Protein A 4 FT #SUB 120 119 PRO G 107 106 HIS A Protein A 3 FT #SUB 120 119 PRO G 108 107 ALA A Protein B 1 FT #SUB 120 119 PRO G 114 113 ARG A Protein S 3 FT #SUB 122 121 ALA G 105 104 ASN A Protein B 2 FT #SUB 123 122 THR G 105 104 ASN A Protein B 3 FT #SUB 123 122 THR G 128 127 GLY A Protein B 4 FT #SUB 124 123 GLY G 127 126 VAL A Protein B 2 FT #SUB 124 123 GLY G 129 128 LEU A Protein B 1 FT #SUB 125 124 VAL G 125 124 VAL A Protein B 1 FT #SUB 125 124 VAL G 126 125 ILE A Protein B 2 FT #SUB 125 124 VAL G 127 126 VAL A Protein B 3 FT #SUB 126 125 ILE G 125 124 VAL A Protein B 2 FT #SUB 126 125 ILE G 129 128 LEU A Protein S 2 FT #SUB 127 126 VAL G 124 123 GLY A Protein B 2 FT #SUB 127 126 VAL G 125 124 VAL A Protein B 3 FT #SUB 128 127 GLY G 123 122 THR A Protein B 4 FT #SUB 129 128 LEU G 124 123 GLY A Protein S 2 FT #SUB 129 128 LEU G 126 125 ILE A Protein S 2 FT #SUB 129 128 LEU G 140 139 TYR A Protein A 6 FT #SUB 132 131 GLN G 139 138 ARG A Protein S 2 FT #SUB 132 131 GLN G 140 139 TYR A Protein S 2 FT #SUB 132 131 GLN G 143 142 GLU A Protein S 1 FT #SUB 136 135 LEU G 136 135 LEU A Protein A 4 FT #SUB 139 138 ARG G 132 131 GLN A Protein A 3 FT #SUB 139 138 ARG G 136 135 LEU A Protein S 1 FT #SUB 139 138 ARG G 139 138 ARG A Protein S 16 FT #SUB 140 139 TYR G 129 128 LEU A Protein S 5 FT #SUB 140 139 TYR G 132 131 GLN A Protein A 5 FT #SUB 143 142 GLU G 132 131 GLN A Protein S 1 FT #SUB 57 56 ALA G 54 53 ASP D Protein A 3 FT #SUB 57 56 ALA G 55 54 SER D Protein S 1 FT #SUB 60 59 LEU G 12 11 PRO D Protein S 1 FT #SUB 60 59 LEU G 13 12 ASN D Protein S 1 FT #SUB 60 59 LEU G 54 53 ASP D Protein S 1 FT #SUB 64 63 HIS G 13 12 ASN D Protein S 4 FT #SUB 64 63 HIS G 16 15 ARG D Protein A 10 FT #SUB 64 63 HIS G 54 53 ASP D Protein S 3 FT #SUB 67 66 ALA G 16 15 ARG D Protein S 1 FT #SUB 67 66 ALA G 20 19 ARG D Protein B 1 FT #SUB 68 67 ASP G 16 15 ARG D Protein S 8 FT #SUB 68 67 ASP G 20 19 ARG D Protein S 1 FT #SUB 83 82 THR G 83 82 THR D Protein B 2 FT #SUB 85 84 VAL G 79 78 GLY D Protein S 3 FT #SUB 85 84 VAL G 83 82 THR D Protein S 1 FT #SUB 85 84 VAL G 112 111 PHE D Protein S 3 FT #SUB 85 84 VAL G 113 112 ARG D Protein S 1 FT #SUB 86 85 ALA G 12 11 PRO D Protein S 1 FT #SUB 86 85 ALA G 13 12 ASN D Protein B 3 FT #SUB 88 87 ARG G 110 109 GLU D Protein S 2 FT #SUB 88 87 ARG G 112 111 PHE D Protein S 7 FT #SUB 89 88 ASP G 13 12 ASN D Protein S 1 FT #SUB 89 88 ASP G 113 112 ARG D Protein S 8 FT #SUB 90 89 ALA G 13 12 ASN D Protein A 2 FT #SUB 93 92 GLU G 16 15 ARG D Protein S 5 FT #SUB 93 92 GLU G 20 19 ARG D Protein A 9 FT #SUB 117 116 TYR G 112 111 PHE D Protein S 2 FT #SUB 12 11 PRO G 60 59 LEU F Protein S 1 FT #SUB 12 11 PRO G 86 85 ALA F Protein S 1 FT #SUB 13 12 ASN G 64 63 HIS F Protein S 4 FT #SUB 13 12 ASN G 86 85 ALA F Protein S 3 FT #SUB 13 12 ASN G 90 89 ALA F Protein S 2 FT #SUB 16 15 ARG G 64 63 HIS F Protein S 9 FT #SUB 16 15 ARG G 67 66 ALA F Protein S 1 FT #SUB 16 15 ARG G 68 67 ASP F Protein S 6 FT #SUB 16 15 ARG G 93 92 GLU F Protein S 5 FT #SUB 19 18 ARG G 68 67 ASP F Protein S 1 FT #SUB 20 19 ARG G 67 66 ALA F Protein S 1 FT #SUB 20 19 ARG G 68 67 ASP F Protein S 1 FT #SUB 20 19 ARG G 93 92 GLU F Protein S 6 FT #SUB 54 53 ASP G 57 56 ALA F Protein B 3 FT #SUB 54 53 ASP G 60 59 LEU F Protein A 2 FT #SUB 54 53 ASP G 64 63 HIS F Protein S 2 FT #SUB 55 54 SER G 57 56 ALA F Protein B 2 FT #SUB 79 78 GLY G 85 84 VAL F Protein B 3 FT #SUB 83 82 THR G 83 82 THR F Protein S 2 FT #SUB 83 82 THR G 85 84 VAL F Protein S 2 FT #SUB 110 109 GLU G 88 87 ARG F Protein S 5 FT #SUB 112 111 PHE G 85 84 VAL F Protein S 1 FT #SUB 112 111 PHE G 88 87 ARG F Protein S 8 FT #SUB 112 111 PHE G 117 116 TYR F Protein S 1 FT #SUB 113 112 ARG G 85 84 VAL F Protein S 1 FT #SUB 113 112 ARG G 89 88 ASP F Protein S 8 FT #HET 13 12 ASN G 9 147 GOL G A 3 FT #HET 16 15 ARG G 9 147 GOL G B 4 FT #HET 17 16 LEU G 9 147 GOL G B 2 FT #HET 20 19 ARG G 9 147 GOL G A 2 FT #HET 25 24 TYR G 9 147 GOL G S 5 FT #HET 25 24 TYR G 10 148 FA1 G S 6 FT #HET 76 75 ASN G 10 148 FA1 G S 7 FT #HET 78 77 GLY G 10 148 FA1 G B 7 FT #HET 79 78 GLY G 10 148 FA1 G B 2 FT #HET 82 81 HIS G 10 148 FA1 G S 4 FT #HET 89 88 ASP G 5 147 FA1 D S 3 FT #HET 102 101 HIS G 10 148 FA1 G A 13 FT #HET 103 102 ILE G 10 148 FA1 G A 7 FT #HET 104 103 SER G 10 148 FA1 G A 7 FT #HET 106 105 VAL G 10 148 FA1 G S 1 FT #HET 113 112 ARG G 10 148 FA1 G S 7 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AH STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 105 104 ASN H 119 118 SER C Protein S 3 FT #SUB 105 104 ASN H 122 121 ALA C Protein S 2 FT #SUB 105 104 ASN H 123 122 THR C Protein S 2 FT #SUB 107 106 HIS H 119 118 SER C Protein S 4 FT #SUB 107 106 HIS H 120 119 PRO C Protein B 4 FT #SUB 108 107 ALA H 120 119 PRO C Protein S 1 FT #SUB 114 113 ARG H 116 115 SER C Protein S 1 FT #SUB 114 113 ARG H 120 119 PRO C Protein S 1 FT #SUB 116 115 SER H 114 113 ARG C Protein B 1 FT #SUB 119 118 SER H 105 104 ASN C Protein B 3 FT #SUB 119 118 SER H 107 106 HIS C Protein A 4 FT #SUB 120 119 PRO H 107 106 HIS C Protein A 4 FT #SUB 120 119 PRO H 108 107 ALA C Protein B 1 FT #SUB 120 119 PRO H 114 113 ARG C Protein S 1 FT #SUB 122 121 ALA H 105 104 ASN C Protein B 3 FT #SUB 123 122 THR H 105 104 ASN C Protein B 2 FT #SUB 123 122 THR H 128 127 GLY C Protein B 4 FT #SUB 124 123 GLY H 127 126 VAL C Protein B 2 FT #SUB 124 123 GLY H 128 127 GLY C Protein B 1 FT #SUB 124 123 GLY H 129 128 LEU C Protein B 2 FT #SUB 125 124 VAL H 125 124 VAL C Protein B 1 FT #SUB 125 124 VAL H 126 125 ILE C Protein B 2 FT #SUB 125 124 VAL H 127 126 VAL C Protein B 4 FT #SUB 126 125 ILE H 125 124 VAL C Protein B 2 FT #SUB 127 126 VAL H 124 123 GLY C Protein B 2 FT #SUB 127 126 VAL H 125 124 VAL C Protein B 3 FT #SUB 128 127 GLY H 123 122 THR C Protein B 4 FT #SUB 129 128 LEU H 124 123 GLY C Protein S 2 FT #SUB 129 128 LEU H 140 139 TYR C Protein A 6 FT #SUB 132 131 GLN H 139 138 ARG C Protein S 3 FT #SUB 132 131 GLN H 140 139 TYR C Protein S 7 FT #SUB 132 131 GLN H 143 142 GLU C Protein S 2 FT #SUB 136 135 LEU H 136 135 LEU C Protein A 4 FT #SUB 136 135 LEU H 139 138 ARG C Protein S 3 FT #SUB 136 135 LEU H 140 139 TYR C Protein S 1 FT #SUB 139 138 ARG H 132 131 GLN C Protein A 3 FT #SUB 139 138 ARG H 136 135 LEU C Protein S 1 FT #SUB 139 138 ARG H 139 138 ARG C Protein S 16 FT #SUB 140 139 TYR H 129 128 LEU C Protein S 6 FT #SUB 140 139 TYR H 132 131 GLN C Protein A 6 FT #SUB 143 142 GLU H 132 131 GLN C Protein S 4 FT #SUB 57 56 ALA H 54 53 ASP I Protein A 3 FT #SUB 57 56 ALA H 55 54 SER I Protein S 3 FT #SUB 60 59 LEU H 12 11 PRO I Protein S 1 FT #SUB 60 59 LEU H 54 53 ASP I Protein S 2 FT #SUB 64 63 HIS H 13 12 ASN I Protein S 2 FT #SUB 64 63 HIS H 16 15 ARG I Protein A 11 FT #SUB 64 63 HIS H 54 53 ASP I Protein S 3 FT #SUB 67 66 ALA H 16 15 ARG I Protein S 1 FT #SUB 67 66 ALA H 20 19 ARG I Protein B 4 FT #SUB 68 67 ASP H 16 15 ARG I Protein S 9 FT #SUB 68 67 ASP H 19 18 ARG I Protein S 2 FT #SUB 83 82 THR H 83 82 THR I Protein B 2 FT #SUB 85 84 VAL H 79 78 GLY I Protein S 2 FT #SUB 85 84 VAL H 83 82 THR I Protein S 1 FT #SUB 85 84 VAL H 112 111 PHE I Protein S 3 FT #SUB 85 84 VAL H 113 112 ARG I Protein S 1 FT #SUB 86 85 ALA H 12 11 PRO I Protein S 1 FT #SUB 86 85 ALA H 13 12 ASN I Protein B 4 FT #SUB 88 87 ARG H 110 109 GLU I Protein S 2 FT #SUB 88 87 ARG H 112 111 PHE I Protein S 7 FT #SUB 89 88 ASP H 13 12 ASN I Protein S 1 FT #SUB 89 88 ASP H 113 112 ARG I Protein S 6 FT #SUB 90 89 ALA H 13 12 ASN I Protein A 3 FT #SUB 93 92 GLU H 16 15 ARG I Protein S 5 FT #SUB 93 92 GLU H 20 19 ARG I Protein B 4 FT #SUB 94 93 LEU H 20 19 ARG I Protein B 2 FT #SUB 95 94 SER H 20 19 ARG I Protein A 8 FT #SUB 117 116 TYR H 112 111 PHE I Protein S 1 FT #SUB 12 11 PRO H 60 59 LEU J Protein S 1 FT #SUB 12 11 PRO H 86 85 ALA J Protein S 1 FT #SUB 13 12 ASN H 60 59 LEU J Protein S 1 FT #SUB 13 12 ASN H 64 63 HIS J Protein S 4 FT #SUB 13 12 ASN H 86 85 ALA J Protein S 4 FT #SUB 13 12 ASN H 90 89 ALA J Protein S 2 FT #SUB 16 15 ARG H 64 63 HIS J Protein S 11 FT #SUB 16 15 ARG H 68 67 ASP J Protein S 8 FT #SUB 16 15 ARG H 93 92 GLU J Protein S 4 FT #SUB 19 18 ARG H 68 67 ASP J Protein S 3 FT #SUB 20 19 ARG H 67 66 ALA J Protein S 2 FT #SUB 20 19 ARG H 68 67 ASP J Protein S 5 FT #SUB 20 19 ARG H 93 92 GLU J Protein S 4 FT #SUB 54 53 ASP H 57 56 ALA J Protein B 2 FT #SUB 54 53 ASP H 60 59 LEU J Protein A 2 FT #SUB 54 53 ASP H 64 63 HIS J Protein S 1 FT #SUB 79 78 GLY H 85 84 VAL J Protein B 3 FT #SUB 80 79 LEU H 56 55 GLU J Protein S 1 FT #SUB 83 82 THR H 83 82 THR J Protein S 2 FT #SUB 83 82 THR H 85 84 VAL J Protein S 1 FT #SUB 112 111 PHE H 85 84 VAL J Protein S 2 FT #SUB 112 111 PHE H 88 87 ARG J Protein S 7 FT #SUB 112 111 PHE H 117 116 TYR J Protein S 2 FT #SUB 113 112 ARG H 85 84 VAL J Protein S 1 FT #SUB 113 112 ARG H 89 88 ASP J Protein S 8 FT #HET 13 12 ASN H 11 147 GOL H A 5 FT #HET 16 15 ARG H 11 147 GOL H A 5 FT #HET 17 16 LEU H 11 147 GOL H B 2 FT #HET 20 19 ARG H 11 147 GOL H A 7 FT #HET 25 24 TYR H 11 147 GOL H S 3 FT #HET 25 24 TYR H 12 148 FA1 H S 7 FT #HET 76 75 ASN H 12 148 FA1 H S 9 FT #HET 78 77 GLY H 12 148 FA1 H B 7 FT #HET 79 78 GLY H 12 148 FA1 H B 2 FT #HET 82 81 HIS H 12 148 FA1 H S 4 FT #HET 89 88 ASP H 14 148 FA1 I S 3 FT #HET 93 92 GLU H 13 147 GOL I S 4 FT #HET 102 101 HIS H 12 148 FA1 H A 13 FT #HET 103 102 ILE H 12 148 FA1 H A 9 FT #HET 104 103 SER H 12 148 FA1 H A 6 FT #HET 106 105 VAL H 12 148 FA1 H S 1 FT #HET 113 112 ARG H 12 148 FA1 H S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AI STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 105 104 ASN I 119 118 SER D Protein S 3 FT #SUB 105 104 ASN I 122 121 ALA D Protein S 2 FT #SUB 105 104 ASN I 123 122 THR D Protein S 2 FT #SUB 107 106 HIS I 119 118 SER D Protein S 4 FT #SUB 107 106 HIS I 120 119 PRO D Protein B 4 FT #SUB 108 107 ALA I 120 119 PRO D Protein S 1 FT #SUB 114 113 ARG I 116 115 SER D Protein S 1 FT #SUB 114 113 ARG I 120 119 PRO D Protein S 1 FT #SUB 116 115 SER I 114 113 ARG D Protein B 1 FT #SUB 119 118 SER I 105 104 ASN D Protein B 3 FT #SUB 119 118 SER I 107 106 HIS D Protein A 5 FT #SUB 119 118 SER I 114 113 ARG D Protein S 1 FT #SUB 120 119 PRO I 107 106 HIS D Protein A 5 FT #SUB 120 119 PRO I 108 107 ALA D Protein B 1 FT #SUB 120 119 PRO I 114 113 ARG D Protein S 3 FT #SUB 122 121 ALA I 105 104 ASN D Protein B 2 FT #SUB 123 122 THR I 105 104 ASN D Protein B 2 FT #SUB 123 122 THR I 128 127 GLY D Protein B 3 FT #SUB 124 123 GLY I 127 126 VAL D Protein B 2 FT #SUB 124 123 GLY I 129 128 LEU D Protein B 1 FT #SUB 125 124 VAL I 125 124 VAL D Protein B 1 FT #SUB 125 124 VAL I 126 125 ILE D Protein B 2 FT #SUB 125 124 VAL I 127 126 VAL D Protein B 4 FT #SUB 126 125 ILE I 125 124 VAL D Protein B 2 FT #SUB 126 125 ILE I 129 128 LEU D Protein S 2 FT #SUB 127 126 VAL I 124 123 GLY D Protein B 2 FT #SUB 127 126 VAL I 125 124 VAL D Protein B 4 FT #SUB 128 127 GLY I 123 122 THR D Protein B 4 FT #SUB 129 128 LEU I 99 98 ILE D Protein S 1 FT #SUB 129 128 LEU I 124 123 GLY D Protein S 2 FT #SUB 129 128 LEU I 126 125 ILE D Protein S 1 FT #SUB 129 128 LEU I 140 139 TYR D Protein A 8 FT #SUB 132 131 GLN I 139 138 ARG D Protein S 2 FT #SUB 132 131 GLN I 140 139 TYR D Protein S 4 FT #SUB 132 131 GLN I 143 142 GLU D Protein S 2 FT #SUB 136 135 LEU I 136 135 LEU D Protein A 4 FT #SUB 136 135 LEU I 139 138 ARG D Protein S 3 FT #SUB 139 138 ARG I 132 131 GLN D Protein B 2 FT #SUB 139 138 ARG I 136 135 LEU D Protein S 1 FT #SUB 139 138 ARG I 139 138 ARG D Protein S 16 FT #SUB 140 139 TYR I 129 128 LEU D Protein S 9 FT #SUB 140 139 TYR I 132 131 GLN D Protein A 8 FT #SUB 143 142 GLU I 132 131 GLN D Protein S 3 FT #SUB 12 11 PRO I 60 59 LEU H Protein S 1 FT #SUB 12 11 PRO I 86 85 ALA H Protein S 1 FT #SUB 13 12 ASN I 64 63 HIS H Protein S 2 FT #SUB 13 12 ASN I 86 85 ALA H Protein S 4 FT #SUB 13 12 ASN I 89 88 ASP H Protein S 1 FT #SUB 13 12 ASN I 90 89 ALA H Protein S 3 FT #SUB 16 15 ARG I 64 63 HIS H Protein S 11 FT #SUB 16 15 ARG I 67 66 ALA H Protein S 1 FT #SUB 16 15 ARG I 68 67 ASP H Protein S 9 FT #SUB 16 15 ARG I 93 92 GLU H Protein S 5 FT #SUB 19 18 ARG I 68 67 ASP H Protein S 2 FT #SUB 20 19 ARG I 67 66 ALA H Protein S 4 FT #SUB 20 19 ARG I 93 92 GLU H Protein S 4 FT #SUB 20 19 ARG I 94 93 LEU H Protein S 2 FT #SUB 20 19 ARG I 95 94 SER H Protein S 8 FT #SUB 54 53 ASP I 57 56 ALA H Protein B 3 FT #SUB 54 53 ASP I 60 59 LEU H Protein A 2 FT #SUB 54 53 ASP I 64 63 HIS H Protein S 3 FT #SUB 55 54 SER I 57 56 ALA H Protein A 3 FT #SUB 79 78 GLY I 85 84 VAL H Protein B 2 FT #SUB 83 82 THR I 83 82 THR H Protein S 2 FT #SUB 83 82 THR I 85 84 VAL H Protein S 1 FT #SUB 110 109 GLU I 88 87 ARG H Protein S 2 FT #SUB 112 111 PHE I 85 84 VAL H Protein S 3 FT #SUB 112 111 PHE I 88 87 ARG H Protein S 7 FT #SUB 112 111 PHE I 117 116 TYR H Protein S 1 FT #SUB 113 112 ARG I 85 84 VAL H Protein S 1 FT #SUB 113 112 ARG I 89 88 ASP H Protein S 6 FT #SUB 57 56 ALA I 54 53 ASP J Protein A 3 FT #SUB 60 59 LEU I 13 12 ASN J Protein S 1 FT #SUB 60 59 LEU I 54 53 ASP J Protein S 2 FT #SUB 64 63 HIS I 13 12 ASN J Protein S 4 FT #SUB 64 63 HIS I 16 15 ARG J Protein A 11 FT #SUB 64 63 HIS I 54 53 ASP J Protein S 3 FT #SUB 67 66 ALA I 16 15 ARG J Protein S 1 FT #SUB 67 66 ALA I 20 19 ARG J Protein A 6 FT #SUB 68 67 ASP I 16 15 ARG J Protein S 9 FT #SUB 68 67 ASP I 19 18 ARG J Protein S 2 FT #SUB 68 67 ASP I 20 19 ARG J Protein S 2 FT #SUB 83 82 THR I 83 82 THR J Protein B 2 FT #SUB 85 84 VAL I 79 78 GLY J Protein S 3 FT #SUB 85 84 VAL I 83 82 THR J Protein S 1 FT #SUB 85 84 VAL I 112 111 PHE J Protein S 2 FT #SUB 85 84 VAL I 113 112 ARG J Protein S 1 FT #SUB 86 85 ALA I 12 11 PRO J Protein S 1 FT #SUB 86 85 ALA I 13 12 ASN J Protein B 4 FT #SUB 88 87 ARG I 110 109 GLU J Protein S 5 FT #SUB 88 87 ARG I 112 111 PHE J Protein S 5 FT #SUB 89 88 ASP I 13 12 ASN J Protein S 1 FT #SUB 89 88 ASP I 113 112 ARG J Protein S 8 FT #SUB 90 89 ALA I 13 12 ASN J Protein A 3 FT #SUB 93 92 GLU I 16 15 ARG J Protein S 6 FT #SUB 93 92 GLU I 20 19 ARG J Protein A 8 FT #SUB 95 94 SER I 20 19 ARG J Protein S 1 FT #SUB 117 116 TYR I 112 111 PHE J Protein S 1 FT #HET 13 12 ASN I 13 147 GOL I A 6 FT #HET 16 15 ARG I 13 147 GOL I B 2 FT #HET 17 16 LEU I 13 147 GOL I A 3 FT #HET 19 18 ARG I 13 147 GOL I B 1 FT #HET 21 20 GLU I 13 147 GOL I A 4 FT #HET 25 24 TYR I 14 148 FA1 I S 7 FT #HET 76 75 ASN I 14 148 FA1 I S 10 FT #HET 78 77 GLY I 14 148 FA1 I B 10 FT #HET 79 78 GLY I 14 148 FA1 I B 3 FT #HET 82 81 HIS I 14 148 FA1 I S 4 FT #HET 85 84 VAL I 15 147 FA1 J S 1 FT #HET 89 88 ASP I 15 147 FA1 J S 3 FT #HET 102 101 HIS I 14 148 FA1 I A 12 FT #HET 103 102 ILE I 14 148 FA1 I A 8 FT #HET 104 103 SER I 14 148 FA1 I A 4 FT #HET 106 105 VAL I 14 148 FA1 I S 2 FT #HET 113 112 ARG I 14 148 FA1 I S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AJ STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 56 55 GLU J 80 79 LEU H Protein S 1 FT #SUB 57 56 ALA J 54 53 ASP H Protein A 2 FT #SUB 60 59 LEU J 12 11 PRO H Protein S 1 FT #SUB 60 59 LEU J 13 12 ASN H Protein S 1 FT #SUB 60 59 LEU J 54 53 ASP H Protein S 2 FT #SUB 64 63 HIS J 13 12 ASN H Protein S 4 FT #SUB 64 63 HIS J 16 15 ARG H Protein A 11 FT #SUB 64 63 HIS J 54 53 ASP H Protein S 1 FT #SUB 67 66 ALA J 20 19 ARG H Protein B 2 FT #SUB 68 67 ASP J 16 15 ARG H Protein S 8 FT #SUB 68 67 ASP J 19 18 ARG H Protein S 3 FT #SUB 68 67 ASP J 20 19 ARG H Protein A 5 FT #SUB 83 82 THR J 83 82 THR H Protein B 2 FT #SUB 85 84 VAL J 79 78 GLY H Protein S 3 FT #SUB 85 84 VAL J 83 82 THR H Protein S 1 FT #SUB 85 84 VAL J 112 111 PHE H Protein S 2 FT #SUB 85 84 VAL J 113 112 ARG H Protein S 1 FT #SUB 86 85 ALA J 12 11 PRO H Protein S 1 FT #SUB 86 85 ALA J 13 12 ASN H Protein B 4 FT #SUB 88 87 ARG J 112 111 PHE H Protein S 7 FT #SUB 89 88 ASP J 113 112 ARG H Protein S 8 FT #SUB 90 89 ALA J 13 12 ASN H Protein A 2 FT #SUB 93 92 GLU J 16 15 ARG H Protein S 4 FT #SUB 93 92 GLU J 20 19 ARG H Protein S 4 FT #SUB 117 116 TYR J 112 111 PHE H Protein S 2 FT #SUB 12 11 PRO J 86 85 ALA I Protein S 1 FT #SUB 13 12 ASN J 60 59 LEU I Protein S 1 FT #SUB 13 12 ASN J 64 63 HIS I Protein S 4 FT #SUB 13 12 ASN J 86 85 ALA I Protein S 4 FT #SUB 13 12 ASN J 89 88 ASP I Protein S 1 FT #SUB 13 12 ASN J 90 89 ALA I Protein S 3 FT #SUB 16 15 ARG J 64 63 HIS I Protein S 11 FT #SUB 16 15 ARG J 67 66 ALA I Protein S 1 FT #SUB 16 15 ARG J 68 67 ASP I Protein S 9 FT #SUB 16 15 ARG J 93 92 GLU I Protein S 6 FT #SUB 19 18 ARG J 68 67 ASP I Protein S 2 FT #SUB 20 19 ARG J 67 66 ALA I Protein S 6 FT #SUB 20 19 ARG J 68 67 ASP I Protein S 2 FT #SUB 20 19 ARG J 93 92 GLU I Protein A 8 FT #SUB 20 19 ARG J 95 94 SER I Protein S 1 FT #SUB 54 53 ASP J 57 56 ALA I Protein B 3 FT #SUB 54 53 ASP J 60 59 LEU I Protein A 2 FT #SUB 54 53 ASP J 64 63 HIS I Protein S 3 FT #SUB 79 78 GLY J 85 84 VAL I Protein B 3 FT #SUB 83 82 THR J 83 82 THR I Protein S 2 FT #SUB 83 82 THR J 85 84 VAL I Protein S 1 FT #SUB 110 109 GLU J 88 87 ARG I Protein S 5 FT #SUB 112 111 PHE J 85 84 VAL I Protein S 2 FT #SUB 112 111 PHE J 88 87 ARG I Protein S 5 FT #SUB 112 111 PHE J 117 116 TYR I Protein S 1 FT #SUB 113 112 ARG J 85 84 VAL I Protein S 1 FT #SUB 113 112 ARG J 89 88 ASP I Protein S 8 FT #SUB 99 98 ILE J 129 128 LEU L Protein S 1 FT #SUB 105 104 ASN J 119 118 SER L Protein S 3 FT #SUB 105 104 ASN J 122 121 ALA L Protein S 2 FT #SUB 105 104 ASN J 123 122 THR L Protein S 2 FT #SUB 107 106 HIS J 119 118 SER L Protein S 4 FT #SUB 107 106 HIS J 120 119 PRO L Protein B 4 FT #SUB 108 107 ALA J 120 119 PRO L Protein A 2 FT #SUB 114 113 ARG J 116 115 SER L Protein S 1 FT #SUB 114 113 ARG J 120 119 PRO L Protein S 4 FT #SUB 116 115 SER J 114 113 ARG L Protein B 1 FT #SUB 119 118 SER J 105 104 ASN L Protein B 3 FT #SUB 119 118 SER J 107 106 HIS L Protein S 3 FT #SUB 120 119 PRO J 107 106 HIS L Protein A 4 FT #SUB 120 119 PRO J 108 107 ALA L Protein B 1 FT #SUB 120 119 PRO J 114 113 ARG L Protein S 4 FT #SUB 122 121 ALA J 105 104 ASN L Protein B 2 FT #SUB 123 122 THR J 105 104 ASN L Protein B 2 FT #SUB 123 122 THR J 128 127 GLY L Protein B 4 FT #SUB 124 123 GLY J 127 126 VAL L Protein B 2 FT #SUB 124 123 GLY J 129 128 LEU L Protein B 1 FT #SUB 125 124 VAL J 125 124 VAL L Protein B 1 FT #SUB 125 124 VAL J 126 125 ILE L Protein B 2 FT #SUB 125 124 VAL J 127 126 VAL L Protein B 4 FT #SUB 126 125 ILE J 125 124 VAL L Protein B 2 FT #SUB 126 125 ILE J 129 128 LEU L Protein S 1 FT #SUB 127 126 VAL J 124 123 GLY L Protein B 2 FT #SUB 127 126 VAL J 125 124 VAL L Protein B 5 FT #SUB 128 127 GLY J 123 122 THR L Protein B 3 FT #SUB 128 127 GLY J 124 123 GLY L Protein B 1 FT #SUB 129 128 LEU J 124 123 GLY L Protein S 1 FT #SUB 129 128 LEU J 126 125 ILE L Protein S 2 FT #SUB 129 128 LEU J 140 139 TYR L Protein A 7 FT #SUB 132 131 GLN J 139 138 ARG L Protein S 2 FT #SUB 132 131 GLN J 140 139 TYR L Protein S 7 FT #SUB 132 131 GLN J 143 142 GLU L Protein S 3 FT #SUB 136 135 LEU J 136 135 LEU L Protein A 2 FT #SUB 136 135 LEU J 139 138 ARG L Protein S 2 FT #SUB 139 138 ARG J 132 131 GLN L Protein B 2 FT #SUB 139 138 ARG J 136 135 LEU L Protein S 1 FT #SUB 139 138 ARG J 139 138 ARG L Protein S 17 FT #SUB 140 139 TYR J 129 128 LEU L Protein S 6 FT #SUB 140 139 TYR J 132 131 GLN L Protein A 6 FT #SUB 143 142 GLU J 132 131 GLN L Protein S 7 FT #SUB 144 143 HIS J 132 131 GLN L Protein B 1 FT #HET 25 24 TYR J 15 147 FA1 J S 7 FT #HET 76 75 ASN J 15 147 FA1 J S 7 FT #HET 78 77 GLY J 15 147 FA1 J B 9 FT #HET 79 78 GLY J 15 147 FA1 J B 2 FT #HET 82 81 HIS J 15 147 FA1 J S 4 FT #HET 89 88 ASP J 12 148 FA1 H S 2 FT #HET 102 101 HIS J 15 147 FA1 J A 11 FT #HET 103 102 ILE J 15 147 FA1 J A 8 FT #HET 104 103 SER J 15 147 FA1 J A 7 FT #HET 106 105 VAL J 15 147 FA1 J S 1 FT #HET 113 112 ARG J 15 147 FA1 J S 7 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AK STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 12 11 PRO K 60 59 LEU A Protein S 1 FT #SUB 12 11 PRO K 86 85 ALA A Protein S 2 FT #SUB 13 12 ASN K 60 59 LEU A Protein S 1 FT #SUB 13 12 ASN K 64 63 HIS A Protein S 4 FT #SUB 13 12 ASN K 86 85 ALA A Protein S 2 FT #SUB 13 12 ASN K 89 88 ASP A Protein S 1 FT #SUB 13 12 ASN K 90 89 ALA A Protein S 3 FT #SUB 16 15 ARG K 64 63 HIS A Protein S 16 FT #SUB 16 15 ARG K 67 66 ALA A Protein S 1 FT #SUB 16 15 ARG K 68 67 ASP A Protein S 8 FT #SUB 16 15 ARG K 93 92 GLU A Protein S 6 FT #SUB 20 19 ARG K 67 66 ALA A Protein S 2 FT #SUB 20 19 ARG K 68 67 ASP A Protein S 4 FT #SUB 20 19 ARG K 93 92 GLU A Protein S 8 FT #SUB 54 53 ASP K 57 56 ALA A Protein B 1 FT #SUB 54 53 ASP K 60 59 LEU A Protein B 1 FT #SUB 54 53 ASP K 64 63 HIS A Protein S 2 FT #SUB 55 54 SER K 57 56 ALA A Protein A 2 FT #SUB 79 78 GLY K 85 84 VAL A Protein B 2 FT #SUB 80 79 LEU K 56 55 GLU A Protein S 1 FT #SUB 83 82 THR K 83 82 THR A Protein S 2 FT #SUB 83 82 THR K 85 84 VAL A Protein S 1 FT #SUB 110 109 GLU K 88 87 ARG A Protein S 1 FT #SUB 112 111 PHE K 85 84 VAL A Protein S 2 FT #SUB 112 111 PHE K 88 87 ARG A Protein S 6 FT #SUB 112 111 PHE K 117 116 TYR A Protein S 1 FT #SUB 113 112 ARG K 85 84 VAL A Protein S 1 FT #SUB 113 112 ARG K 89 88 ASP A Protein S 8 FT #SUB 99 98 ILE K 129 128 LEU E Protein S 1 FT #SUB 105 104 ASN K 119 118 SER E Protein S 3 FT #SUB 105 104 ASN K 122 121 ALA E Protein S 2 FT #SUB 107 106 HIS K 119 118 SER E Protein S 4 FT #SUB 107 106 HIS K 120 119 PRO E Protein B 4 FT #SUB 108 107 ALA K 120 119 PRO E Protein S 1 FT #SUB 114 113 ARG K 116 115 SER E Protein S 1 FT #SUB 114 113 ARG K 120 119 PRO E Protein S 2 FT #SUB 116 115 SER K 114 113 ARG E Protein B 1 FT #SUB 119 118 SER K 105 104 ASN E Protein B 3 FT #SUB 119 118 SER K 107 106 HIS E Protein A 4 FT #SUB 120 119 PRO K 107 106 HIS E Protein A 4 FT #SUB 120 119 PRO K 108 107 ALA E Protein B 1 FT #SUB 120 119 PRO K 114 113 ARG E Protein S 3 FT #SUB 122 121 ALA K 105 104 ASN E Protein B 2 FT #SUB 123 122 THR K 105 104 ASN E Protein B 2 FT #SUB 123 122 THR K 128 127 GLY E Protein B 4 FT #SUB 124 123 GLY K 127 126 VAL E Protein B 2 FT #SUB 124 123 GLY K 129 128 LEU E Protein B 1 FT #SUB 125 124 VAL K 125 124 VAL E Protein B 1 FT #SUB 125 124 VAL K 126 125 ILE E Protein B 2 FT #SUB 125 124 VAL K 127 126 VAL E Protein B 6 FT #SUB 126 125 ILE K 125 124 VAL E Protein B 2 FT #SUB 126 125 ILE K 129 128 LEU E Protein S 2 FT #SUB 127 126 VAL K 124 123 GLY E Protein B 2 FT #SUB 127 126 VAL K 125 124 VAL E Protein B 5 FT #SUB 128 127 GLY K 123 122 THR E Protein B 4 FT #SUB 129 128 LEU K 124 123 GLY E Protein S 1 FT #SUB 129 128 LEU K 140 139 TYR E Protein A 7 FT #SUB 132 131 GLN K 139 138 ARG E Protein S 3 FT #SUB 132 131 GLN K 140 139 TYR E Protein S 8 FT #SUB 132 131 GLN K 143 142 GLU E Protein S 2 FT #SUB 136 135 LEU K 136 135 LEU E Protein A 7 FT #SUB 136 135 LEU K 139 138 ARG E Protein S 1 FT #SUB 139 138 ARG K 132 131 GLN E Protein B 2 FT #SUB 139 138 ARG K 139 138 ARG E Protein S 13 FT #SUB 140 139 TYR K 129 128 LEU E Protein S 6 FT #SUB 140 139 TYR K 132 131 GLN E Protein A 7 FT #SUB 143 142 GLU K 132 131 GLN E Protein S 2 FT #SUB 144 143 HIS K 132 131 GLN E Protein B 1 FT #SUB 56 55 GLU K 80 79 LEU L Protein S 1 FT #SUB 57 56 ALA K 54 53 ASP L Protein A 3 FT #SUB 57 56 ALA K 55 54 SER L Protein S 1 FT #SUB 60 59 LEU K 12 11 PRO L Protein S 1 FT #SUB 60 59 LEU K 13 12 ASN L Protein S 1 FT #SUB 64 63 HIS K 13 12 ASN L Protein S 4 FT #SUB 64 63 HIS K 16 15 ARG L Protein A 14 FT #SUB 64 63 HIS K 54 53 ASP L Protein S 3 FT #SUB 67 66 ALA K 16 15 ARG L Protein S 1 FT #SUB 67 66 ALA K 20 19 ARG L Protein A 3 FT #SUB 68 67 ASP K 16 15 ARG L Protein S 8 FT #SUB 68 67 ASP K 20 19 ARG L Protein A 6 FT #SUB 83 82 THR K 83 82 THR L Protein B 2 FT #SUB 85 84 VAL K 79 78 GLY L Protein S 3 FT #SUB 85 84 VAL K 83 82 THR L Protein S 1 FT #SUB 85 84 VAL K 112 111 PHE L Protein S 1 FT #SUB 85 84 VAL K 113 112 ARG L Protein S 1 FT #SUB 86 85 ALA K 12 11 PRO L Protein S 1 FT #SUB 86 85 ALA K 13 12 ASN L Protein B 4 FT #SUB 86 85 ALA K 79 78 GLY L Protein B 1 FT #SUB 88 87 ARG K 110 109 GLU L Protein S 1 FT #SUB 88 87 ARG K 112 111 PHE L Protein S 7 FT #SUB 89 88 ASP K 13 12 ASN L Protein S 1 FT #SUB 89 88 ASP K 113 112 ARG L Protein S 8 FT #SUB 90 89 ALA K 13 12 ASN L Protein A 4 FT #SUB 93 92 GLU K 16 15 ARG L Protein S 6 FT #SUB 93 92 GLU K 20 19 ARG L Protein A 8 FT #SUB 117 116 TYR K 112 111 PHE L Protein S 2 FT #SUB 4 3 LEU K 39 38 ARG X Protein S 1 FT #HET 25 24 TYR K 16 147 FA1 K S 9 FT #HET 76 75 ASN K 16 147 FA1 K S 6 FT #HET 78 77 GLY K 16 147 FA1 K B 9 FT #HET 79 78 GLY K 16 147 FA1 K B 2 FT #HET 82 81 HIS K 16 147 FA1 K S 4 FT #HET 89 88 ASP K 18 148 FA1 L S 3 FT #HET 93 92 GLU K 17 147 GOL L S 3 FT #HET 102 101 HIS K 16 147 FA1 K A 9 FT #HET 103 102 ILE K 16 147 FA1 K A 8 FT #HET 104 103 SER K 16 147 FA1 K A 6 FT #HET 106 105 VAL K 16 147 FA1 K S 1 FT #HET 113 112 ARG K 16 147 FA1 K S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AL STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 57 56 ALA L 54 53 ASP A Protein A 2 FT #SUB 60 59 LEU L 12 11 PRO A Protein S 1 FT #SUB 60 59 LEU L 13 12 ASN A Protein S 1 FT #SUB 60 59 LEU L 54 53 ASP A Protein S 2 FT #SUB 64 63 HIS L 13 12 ASN A Protein S 4 FT #SUB 64 63 HIS L 16 15 ARG A Protein A 15 FT #SUB 64 63 HIS L 54 53 ASP A Protein S 2 FT #SUB 67 66 ALA L 16 15 ARG A Protein S 1 FT #SUB 67 66 ALA L 20 19 ARG A Protein A 4 FT #SUB 68 67 ASP L 16 15 ARG A Protein S 8 FT #SUB 68 67 ASP L 20 19 ARG A Protein A 2 FT #SUB 83 82 THR L 83 82 THR A Protein B 2 FT #SUB 85 84 VAL L 79 78 GLY A Protein S 3 FT #SUB 85 84 VAL L 83 82 THR A Protein S 1 FT #SUB 85 84 VAL L 112 111 PHE A Protein S 2 FT #SUB 85 84 VAL L 113 112 ARG A Protein S 1 FT #SUB 86 85 ALA L 12 11 PRO A Protein S 1 FT #SUB 86 85 ALA L 13 12 ASN A Protein B 3 FT #SUB 88 87 ARG L 110 109 GLU A Protein S 2 FT #SUB 88 87 ARG L 112 111 PHE A Protein S 7 FT #SUB 89 88 ASP L 13 12 ASN A Protein S 1 FT #SUB 89 88 ASP L 113 112 ARG A Protein S 8 FT #SUB 90 89 ALA L 13 12 ASN A Protein A 2 FT #SUB 93 92 GLU L 16 15 ARG A Protein S 5 FT #SUB 93 92 GLU L 20 19 ARG A Protein A 7 FT #SUB 117 116 TYR L 112 111 PHE A Protein S 2 FT #SUB 105 104 ASN L 119 118 SER J Protein S 3 FT #SUB 105 104 ASN L 122 121 ALA J Protein S 2 FT #SUB 105 104 ASN L 123 122 THR J Protein S 2 FT #SUB 107 106 HIS L 119 118 SER J Protein S 3 FT #SUB 107 106 HIS L 120 119 PRO J Protein B 4 FT #SUB 108 107 ALA L 120 119 PRO J Protein S 1 FT #SUB 114 113 ARG L 116 115 SER J Protein S 1 FT #SUB 114 113 ARG L 120 119 PRO J Protein S 4 FT #SUB 116 115 SER L 114 113 ARG J Protein B 1 FT #SUB 119 118 SER L 105 104 ASN J Protein B 3 FT #SUB 119 118 SER L 107 106 HIS J Protein A 4 FT #SUB 120 119 PRO L 107 106 HIS J Protein A 4 FT #SUB 120 119 PRO L 108 107 ALA J Protein B 2 FT #SUB 120 119 PRO L 114 113 ARG J Protein S 4 FT #SUB 122 121 ALA L 105 104 ASN J Protein B 2 FT #SUB 123 122 THR L 105 104 ASN J Protein B 2 FT #SUB 123 122 THR L 128 127 GLY J Protein B 3 FT #SUB 124 123 GLY L 127 126 VAL J Protein B 2 FT #SUB 124 123 GLY L 128 127 GLY J Protein B 1 FT #SUB 124 123 GLY L 129 128 LEU J Protein B 1 FT #SUB 125 124 VAL L 125 124 VAL J Protein B 1 FT #SUB 125 124 VAL L 126 125 ILE J Protein B 2 FT #SUB 125 124 VAL L 127 126 VAL J Protein B 5 FT #SUB 126 125 ILE L 125 124 VAL J Protein B 2 FT #SUB 126 125 ILE L 129 128 LEU J Protein S 2 FT #SUB 127 126 VAL L 124 123 GLY J Protein B 2 FT #SUB 127 126 VAL L 125 124 VAL J Protein B 4 FT #SUB 128 127 GLY L 123 122 THR J Protein B 4 FT #SUB 129 128 LEU L 99 98 ILE J Protein S 1 FT #SUB 129 128 LEU L 124 123 GLY J Protein S 1 FT #SUB 129 128 LEU L 126 125 ILE J Protein S 1 FT #SUB 129 128 LEU L 140 139 TYR J Protein A 6 FT #SUB 132 131 GLN L 139 138 ARG J Protein S 2 FT #SUB 132 131 GLN L 140 139 TYR J Protein S 6 FT #SUB 132 131 GLN L 143 142 GLU J Protein S 7 FT #SUB 132 131 GLN L 144 143 HIS J Protein S 1 FT #SUB 136 135 LEU L 136 135 LEU J Protein A 2 FT #SUB 136 135 LEU L 139 138 ARG J Protein S 1 FT #SUB 139 138 ARG L 132 131 GLN J Protein B 2 FT #SUB 139 138 ARG L 136 135 LEU J Protein S 2 FT #SUB 139 138 ARG L 139 138 ARG J Protein S 17 FT #SUB 140 139 TYR L 129 128 LEU J Protein S 7 FT #SUB 140 139 TYR L 132 131 GLN J Protein A 7 FT #SUB 143 142 GLU L 132 131 GLN J Protein S 3 FT #SUB 12 11 PRO L 60 59 LEU K Protein S 1 FT #SUB 12 11 PRO L 86 85 ALA K Protein S 1 FT #SUB 13 12 ASN L 60 59 LEU K Protein S 1 FT #SUB 13 12 ASN L 64 63 HIS K Protein S 4 FT #SUB 13 12 ASN L 86 85 ALA K Protein S 4 FT #SUB 13 12 ASN L 89 88 ASP K Protein S 1 FT #SUB 13 12 ASN L 90 89 ALA K Protein S 4 FT #SUB 16 15 ARG L 64 63 HIS K Protein S 14 FT #SUB 16 15 ARG L 67 66 ALA K Protein S 1 FT #SUB 16 15 ARG L 68 67 ASP K Protein S 8 FT #SUB 16 15 ARG L 93 92 GLU K Protein S 6 FT #SUB 20 19 ARG L 67 66 ALA K Protein S 3 FT #SUB 20 19 ARG L 68 67 ASP K Protein S 6 FT #SUB 20 19 ARG L 93 92 GLU K Protein S 8 FT #SUB 54 53 ASP L 57 56 ALA K Protein B 3 FT #SUB 54 53 ASP L 64 63 HIS K Protein S 3 FT #SUB 55 54 SER L 57 56 ALA K Protein B 1 FT #SUB 79 78 GLY L 85 84 VAL K Protein B 3 FT #SUB 79 78 GLY L 86 85 ALA K Protein B 1 FT #SUB 80 79 LEU L 56 55 GLU K Protein S 1 FT #SUB 83 82 THR L 83 82 THR K Protein S 2 FT #SUB 83 82 THR L 85 84 VAL K Protein S 1 FT #SUB 110 109 GLU L 88 87 ARG K Protein S 1 FT #SUB 112 111 PHE L 85 84 VAL K Protein S 1 FT #SUB 112 111 PHE L 88 87 ARG K Protein S 7 FT #SUB 112 111 PHE L 117 116 TYR K Protein S 2 FT #SUB 113 112 ARG L 85 84 VAL K Protein S 1 FT #SUB 113 112 ARG L 89 88 ASP K Protein S 8 FT #HET 13 12 ASN L 17 147 GOL L A 4 FT #HET 16 15 ARG L 17 147 GOL L B 3 FT #HET 17 16 LEU L 17 147 GOL L B 2 FT #HET 20 19 ARG L 17 147 GOL L B 3 FT #HET 25 24 TYR L 17 147 GOL L S 4 FT #HET 25 24 TYR L 18 148 FA1 L S 6 FT #HET 76 75 ASN L 18 148 FA1 L S 6 FT #HET 78 77 GLY L 18 148 FA1 L B 10 FT #HET 79 78 GLY L 18 148 FA1 L B 2 FT #HET 82 81 HIS L 18 148 FA1 L S 4 FT #HET 89 88 ASP L 1 147 FA1 A S 3 FT #HET 102 101 HIS L 18 148 FA1 L A 10 FT #HET 103 102 ILE L 18 148 FA1 L A 7 FT #HET 104 103 SER L 18 148 FA1 L A 8 FT #HET 106 105 VAL L 18 148 FA1 L S 1 FT #HET 113 112 ARG L 18 148 FA1 L S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AM STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 105 104 ASN M 119 118 SER S Protein S 3 FT #SUB 105 104 ASN M 122 121 ALA S Protein S 2 FT #SUB 105 104 ASN M 123 122 THR S Protein S 2 FT #SUB 107 106 HIS M 119 118 SER S Protein S 4 FT #SUB 107 106 HIS M 120 119 PRO S Protein B 4 FT #SUB 108 107 ALA M 120 119 PRO S Protein A 2 FT #SUB 114 113 ARG M 116 115 SER S Protein S 1 FT #SUB 114 113 ARG M 120 119 PRO S Protein S 4 FT #SUB 115 114 HIS M 114 113 ARG S Protein S 1 FT #SUB 116 115 SER M 114 113 ARG S Protein B 1 FT #SUB 119 118 SER M 105 104 ASN S Protein B 3 FT #SUB 119 118 SER M 107 106 HIS S Protein A 4 FT #SUB 119 118 SER M 114 113 ARG S Protein S 1 FT #SUB 120 119 PRO M 107 106 HIS S Protein A 4 FT #SUB 120 119 PRO M 108 107 ALA S Protein B 1 FT #SUB 120 119 PRO M 114 113 ARG S Protein S 4 FT #SUB 122 121 ALA M 105 104 ASN S Protein B 2 FT #SUB 123 122 THR M 105 104 ASN S Protein B 2 FT #SUB 123 122 THR M 128 127 GLY S Protein B 4 FT #SUB 124 123 GLY M 127 126 VAL S Protein B 2 FT #SUB 124 123 GLY M 128 127 GLY S Protein B 1 FT #SUB 124 123 GLY M 129 128 LEU S Protein B 1 FT #SUB 125 124 VAL M 125 124 VAL S Protein B 1 FT #SUB 125 124 VAL M 126 125 ILE S Protein B 2 FT #SUB 125 124 VAL M 127 126 VAL S Protein B 3 FT #SUB 126 125 ILE M 125 124 VAL S Protein B 2 FT #SUB 126 125 ILE M 129 128 LEU S Protein S 2 FT #SUB 127 126 VAL M 124 123 GLY S Protein B 2 FT #SUB 127 126 VAL M 125 124 VAL S Protein B 3 FT #SUB 128 127 GLY M 123 122 THR S Protein B 4 FT #SUB 128 127 GLY M 124 123 GLY S Protein B 1 FT #SUB 129 128 LEU M 124 123 GLY S Protein S 1 FT #SUB 129 128 LEU M 126 125 ILE S Protein S 2 FT #SUB 129 128 LEU M 140 139 TYR S Protein A 9 FT #SUB 132 131 GLN M 139 138 ARG S Protein S 2 FT #SUB 132 131 GLN M 140 139 TYR S Protein S 7 FT #SUB 132 131 GLN M 143 142 GLU S Protein S 2 FT #SUB 136 135 LEU M 136 135 LEU S Protein A 3 FT #SUB 136 135 LEU M 139 138 ARG S Protein S 1 FT #SUB 139 138 ARG M 132 131 GLN S Protein B 2 FT #SUB 139 138 ARG M 139 138 ARG S Protein S 16 FT #SUB 140 139 TYR M 129 128 LEU S Protein S 8 FT #SUB 140 139 TYR M 132 131 GLN S Protein A 8 FT #SUB 143 142 GLU M 132 131 GLN S Protein S 2 FT #SUB 57 56 ALA M 54 53 ASP W Protein A 3 FT #SUB 57 56 ALA M 55 54 SER W Protein S 1 FT #SUB 60 59 LEU M 12 11 PRO W Protein S 1 FT #SUB 60 59 LEU M 13 12 ASN W Protein S 1 FT #SUB 60 59 LEU M 54 53 ASP W Protein S 2 FT #SUB 64 63 HIS M 13 12 ASN W Protein S 4 FT #SUB 64 63 HIS M 16 15 ARG W Protein A 14 FT #SUB 64 63 HIS M 54 53 ASP W Protein S 2 FT #SUB 67 66 ALA M 20 19 ARG W Protein B 4 FT #SUB 68 67 ASP M 16 15 ARG W Protein S 9 FT #SUB 68 67 ASP M 19 18 ARG W Protein S 2 FT #SUB 83 82 THR M 83 82 THR W Protein B 2 FT #SUB 85 84 VAL M 79 78 GLY W Protein S 3 FT #SUB 85 84 VAL M 83 82 THR W Protein A 2 FT #SUB 85 84 VAL M 112 111 PHE W Protein S 3 FT #SUB 85 84 VAL M 113 112 ARG W Protein S 1 FT #SUB 86 85 ALA M 12 11 PRO W Protein S 1 FT #SUB 86 85 ALA M 13 12 ASN W Protein B 4 FT #SUB 86 85 ALA M 79 78 GLY W Protein B 1 FT #SUB 88 87 ARG M 110 109 GLU W Protein S 5 FT #SUB 88 87 ARG M 112 111 PHE W Protein S 7 FT #SUB 89 88 ASP M 13 12 ASN W Protein S 1 FT #SUB 89 88 ASP M 113 112 ARG W Protein S 9 FT #SUB 90 89 ALA M 13 12 ASN W Protein A 2 FT #SUB 93 92 GLU M 16 15 ARG W Protein S 3 FT #SUB 93 92 GLU M 20 19 ARG W Protein A 8 FT #SUB 95 94 SER M 20 19 ARG W Protein A 3 FT #SUB 117 116 TYR M 112 111 PHE W Protein S 1 FT #SUB 12 11 PRO M 60 59 LEU X Protein S 1 FT #SUB 12 11 PRO M 86 85 ALA X Protein S 1 FT #SUB 13 12 ASN M 64 63 HIS X Protein S 4 FT #SUB 13 12 ASN M 86 85 ALA X Protein S 4 FT #SUB 13 12 ASN M 89 88 ASP X Protein S 1 FT #SUB 13 12 ASN M 90 89 ALA X Protein S 2 FT #SUB 16 15 ARG M 64 63 HIS X Protein S 11 FT #SUB 16 15 ARG M 67 66 ALA X Protein S 1 FT #SUB 16 15 ARG M 68 67 ASP X Protein S 8 FT #SUB 16 15 ARG M 93 92 GLU X Protein S 5 FT #SUB 19 18 ARG M 68 67 ASP X Protein S 1 FT #SUB 20 19 ARG M 67 66 ALA X Protein S 2 FT #SUB 20 19 ARG M 68 67 ASP X Protein S 6 FT #SUB 20 19 ARG M 93 92 GLU X Protein S 4 FT #SUB 54 53 ASP M 57 56 ALA X Protein B 3 FT #SUB 54 53 ASP M 60 59 LEU X Protein B 1 FT #SUB 54 53 ASP M 64 63 HIS X Protein S 2 FT #SUB 55 54 SER M 57 56 ALA X Protein B 1 FT #SUB 79 78 GLY M 85 84 VAL X Protein B 3 FT #SUB 82 81 HIS M 85 84 VAL X Protein S 1 FT #SUB 83 82 THR M 83 82 THR X Protein S 2 FT #SUB 83 82 THR M 85 84 VAL X Protein S 1 FT #SUB 110 109 GLU M 88 87 ARG X Protein S 1 FT #SUB 112 111 PHE M 85 84 VAL X Protein S 3 FT #SUB 112 111 PHE M 88 87 ARG X Protein S 8 FT #SUB 112 111 PHE M 117 116 TYR X Protein S 1 FT #SUB 113 112 ARG M 85 84 VAL X Protein S 1 FT #SUB 113 112 ARG M 89 88 ASP X Protein S 8 FT #HET 25 24 TYR M 19 147 FA1 M S 5 FT #HET 76 75 ASN M 19 147 FA1 M S 8 FT #HET 78 77 GLY M 19 147 FA1 M B 8 FT #HET 79 78 GLY M 19 147 FA1 M B 2 FT #HET 82 81 HIS M 19 147 FA1 M S 4 FT #HET 89 88 ASP M 35 147 FA1 W S 3 FT #HET 102 101 HIS M 19 147 FA1 M A 12 FT #HET 103 102 ILE M 19 147 FA1 M A 8 FT #HET 104 103 SER M 19 147 FA1 M A 6 FT #HET 106 105 VAL M 19 147 FA1 M S 2 FT #HET 113 112 ARG M 19 147 FA1 M S 7 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AN STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 57 56 ALA N 54 53 ASP O Protein S 1 FT #SUB 57 56 ALA N 55 54 SER O Protein S 1 FT #SUB 60 59 LEU N 12 11 PRO O Protein S 1 FT #SUB 60 59 LEU N 54 53 ASP O Protein S 1 FT #SUB 64 63 HIS N 13 12 ASN O Protein S 4 FT #SUB 64 63 HIS N 16 15 ARG O Protein A 13 FT #SUB 64 63 HIS N 54 53 ASP O Protein S 2 FT #SUB 68 67 ASP N 16 15 ARG O Protein S 8 FT #SUB 68 67 ASP N 20 19 ARG O Protein S 3 FT #SUB 83 82 THR N 83 82 THR O Protein B 2 FT #SUB 85 84 VAL N 79 78 GLY O Protein S 2 FT #SUB 85 84 VAL N 83 82 THR O Protein S 1 FT #SUB 85 84 VAL N 112 111 PHE O Protein S 2 FT #SUB 85 84 VAL N 113 112 ARG O Protein S 1 FT #SUB 86 85 ALA N 12 11 PRO O Protein S 2 FT #SUB 86 85 ALA N 13 12 ASN O Protein B 4 FT #SUB 88 87 ARG N 110 109 GLU O Protein S 1 FT #SUB 88 87 ARG N 112 111 PHE O Protein S 4 FT #SUB 89 88 ASP N 13 12 ASN O Protein S 1 FT #SUB 89 88 ASP N 113 112 ARG O Protein S 8 FT #SUB 90 89 ALA N 13 12 ASN O Protein A 2 FT #SUB 93 92 GLU N 16 15 ARG O Protein S 5 FT #SUB 93 92 GLU N 20 19 ARG O Protein A 6 FT #SUB 117 116 TYR N 112 111 PHE O Protein S 1 FT #SUB 12 11 PRO N 60 59 LEU Q Protein S 1 FT #SUB 12 11 PRO N 86 85 ALA Q Protein S 1 FT #SUB 13 12 ASN N 64 63 HIS Q Protein S 4 FT #SUB 13 12 ASN N 86 85 ALA Q Protein S 3 FT #SUB 13 12 ASN N 89 88 ASP Q Protein S 1 FT #SUB 13 12 ASN N 90 89 ALA Q Protein S 2 FT #SUB 16 15 ARG N 64 63 HIS Q Protein S 14 FT #SUB 16 15 ARG N 67 66 ALA Q Protein S 1 FT #SUB 16 15 ARG N 68 67 ASP Q Protein S 9 FT #SUB 16 15 ARG N 93 92 GLU Q Protein S 4 FT #SUB 19 18 ARG N 68 67 ASP Q Protein S 1 FT #SUB 20 19 ARG N 67 66 ALA Q Protein S 2 FT #SUB 20 19 ARG N 68 67 ASP Q Protein S 3 FT #SUB 20 19 ARG N 93 92 GLU Q Protein S 8 FT #SUB 54 53 ASP N 57 56 ALA Q Protein B 2 FT #SUB 54 53 ASP N 64 63 HIS Q Protein S 2 FT #SUB 55 54 SER N 57 56 ALA Q Protein A 2 FT #SUB 79 78 GLY N 85 84 VAL Q Protein B 3 FT #SUB 83 82 THR N 83 82 THR Q Protein S 2 FT #SUB 83 82 THR N 85 84 VAL Q Protein S 1 FT #SUB 110 109 GLU N 88 87 ARG Q Protein S 3 FT #SUB 112 111 PHE N 85 84 VAL Q Protein S 1 FT #SUB 112 111 PHE N 88 87 ARG Q Protein S 7 FT #SUB 112 111 PHE N 117 116 TYR Q Protein S 1 FT #SUB 113 112 ARG N 85 84 VAL Q Protein S 1 FT #SUB 113 112 ARG N 89 88 ASP Q Protein S 8 FT #SUB 105 104 ASN N 119 118 SER R Protein S 3 FT #SUB 105 104 ASN N 122 121 ALA R Protein S 2 FT #SUB 105 104 ASN N 123 122 THR R Protein S 2 FT #SUB 107 106 HIS N 119 118 SER R Protein S 4 FT #SUB 107 106 HIS N 120 119 PRO R Protein B 4 FT #SUB 108 107 ALA N 120 119 PRO R Protein S 1 FT #SUB 114 113 ARG N 116 115 SER R Protein S 1 FT #SUB 114 113 ARG N 120 119 PRO R Protein S 4 FT #SUB 116 115 SER N 114 113 ARG R Protein B 1 FT #SUB 119 118 SER N 105 104 ASN R Protein B 3 FT #SUB 119 118 SER N 107 106 HIS R Protein S 3 FT #SUB 120 119 PRO N 107 106 HIS R Protein A 4 FT #SUB 120 119 PRO N 108 107 ALA R Protein B 1 FT #SUB 120 119 PRO N 114 113 ARG R Protein S 4 FT #SUB 122 121 ALA N 105 104 ASN R Protein B 2 FT #SUB 123 122 THR N 105 104 ASN R Protein B 2 FT #SUB 123 122 THR N 128 127 GLY R Protein B 4 FT #SUB 124 123 GLY N 127 126 VAL R Protein B 2 FT #SUB 124 123 GLY N 129 128 LEU R Protein B 1 FT #SUB 125 124 VAL N 125 124 VAL R Protein B 1 FT #SUB 125 124 VAL N 126 125 ILE R Protein B 2 FT #SUB 125 124 VAL N 127 126 VAL R Protein B 4 FT #SUB 126 125 ILE N 125 124 VAL R Protein B 2 FT #SUB 126 125 ILE N 129 128 LEU R Protein S 2 FT #SUB 127 126 VAL N 124 123 GLY R Protein B 2 FT #SUB 127 126 VAL N 125 124 VAL R Protein B 4 FT #SUB 128 127 GLY N 123 122 THR R Protein B 3 FT #SUB 129 128 LEU N 124 123 GLY R Protein S 2 FT #SUB 129 128 LEU N 126 125 ILE R Protein S 1 FT #SUB 129 128 LEU N 140 139 TYR R Protein A 8 FT #SUB 132 131 GLN N 139 138 ARG R Protein S 2 FT #SUB 132 131 GLN N 140 139 TYR R Protein S 9 FT #SUB 132 131 GLN N 143 142 GLU R Protein S 4 FT #SUB 136 135 LEU N 136 135 LEU R Protein A 4 FT #SUB 136 135 LEU N 139 138 ARG R Protein S 1 FT #SUB 136 135 LEU N 140 139 TYR R Protein S 1 FT #SUB 139 138 ARG N 132 131 GLN R Protein B 2 FT #SUB 139 138 ARG N 136 135 LEU R Protein S 1 FT #SUB 139 138 ARG N 139 138 ARG R Protein S 16 FT #SUB 140 139 TYR N 129 128 LEU R Protein S 9 FT #SUB 140 139 TYR N 132 131 GLN R Protein B 2 FT #SUB 143 142 GLU N 132 131 GLN R Protein S 3 FT #HET 25 24 TYR N 20 147 FA1 N S 6 FT #HET 76 75 ASN N 20 147 FA1 N S 8 FT #HET 78 77 GLY N 20 147 FA1 N B 6 FT #HET 79 78 GLY N 20 147 FA1 N B 2 FT #HET 82 81 HIS N 20 147 FA1 N S 4 FT #HET 89 88 ASP N 22 148 FA1 O S 2 FT #HET 93 92 GLU N 21 147 GOL O S 2 FT #HET 102 101 HIS N 20 147 FA1 N A 12 FT #HET 103 102 ILE N 20 147 FA1 N A 9 FT #HET 104 103 SER N 20 147 FA1 N A 4 FT #HET 106 105 VAL N 20 147 FA1 N S 1 FT #HET 113 112 ARG N 20 147 FA1 N S 9 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AO STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 12 11 PRO O 60 59 LEU N Protein S 1 FT #SUB 12 11 PRO O 86 85 ALA N Protein S 2 FT #SUB 13 12 ASN O 64 63 HIS N Protein S 4 FT #SUB 13 12 ASN O 86 85 ALA N Protein S 4 FT #SUB 13 12 ASN O 89 88 ASP N Protein S 1 FT #SUB 13 12 ASN O 90 89 ALA N Protein S 2 FT #SUB 16 15 ARG O 64 63 HIS N Protein S 13 FT #SUB 16 15 ARG O 68 67 ASP N Protein S 8 FT #SUB 16 15 ARG O 93 92 GLU N Protein S 5 FT #SUB 20 19 ARG O 68 67 ASP N Protein S 3 FT #SUB 20 19 ARG O 93 92 GLU N Protein S 6 FT #SUB 54 53 ASP O 57 56 ALA N Protein B 1 FT #SUB 54 53 ASP O 60 59 LEU N Protein B 1 FT #SUB 54 53 ASP O 64 63 HIS N Protein S 2 FT #SUB 55 54 SER O 57 56 ALA N Protein S 1 FT #SUB 79 78 GLY O 85 84 VAL N Protein B 2 FT #SUB 83 82 THR O 83 82 THR N Protein S 2 FT #SUB 83 82 THR O 85 84 VAL N Protein S 1 FT #SUB 110 109 GLU O 88 87 ARG N Protein S 1 FT #SUB 112 111 PHE O 85 84 VAL N Protein S 2 FT #SUB 112 111 PHE O 88 87 ARG N Protein S 4 FT #SUB 112 111 PHE O 117 116 TYR N Protein S 1 FT #SUB 113 112 ARG O 85 84 VAL N Protein S 1 FT #SUB 113 112 ARG O 89 88 ASP N Protein S 8 FT #SUB 57 56 ALA O 54 53 ASP Q Protein A 3 FT #SUB 60 59 LEU O 12 11 PRO Q Protein S 1 FT #SUB 64 63 HIS O 13 12 ASN Q Protein S 4 FT #SUB 64 63 HIS O 16 15 ARG Q Protein A 13 FT #SUB 64 63 HIS O 54 53 ASP Q Protein S 3 FT #SUB 67 66 ALA O 16 15 ARG Q Protein S 1 FT #SUB 68 67 ASP O 16 15 ARG Q Protein S 9 FT #SUB 68 67 ASP O 19 18 ARG Q Protein S 3 FT #SUB 83 82 THR O 83 82 THR Q Protein B 2 FT #SUB 85 84 VAL O 79 78 GLY Q Protein S 3 FT #SUB 85 84 VAL O 83 82 THR Q Protein S 1 FT #SUB 85 84 VAL O 112 111 PHE Q Protein S 2 FT #SUB 85 84 VAL O 113 112 ARG Q Protein S 1 FT #SUB 86 85 ALA O 12 11 PRO Q Protein S 1 FT #SUB 86 85 ALA O 13 12 ASN Q Protein B 4 FT #SUB 86 85 ALA O 79 78 GLY Q Protein B 1 FT #SUB 88 87 ARG O 110 109 GLU Q Protein S 3 FT #SUB 88 87 ARG O 112 111 PHE Q Protein S 7 FT #SUB 89 88 ASP O 13 12 ASN Q Protein S 1 FT #SUB 89 88 ASP O 113 112 ARG Q Protein S 8 FT #SUB 90 89 ALA O 13 12 ASN Q Protein A 2 FT #SUB 93 92 GLU O 16 15 ARG Q Protein S 5 FT #SUB 117 116 TYR O 112 111 PHE Q Protein S 2 FT #SUB 99 98 ILE O 129 128 LEU T Protein S 1 FT #SUB 105 104 ASN O 119 118 SER T Protein S 3 FT #SUB 105 104 ASN O 122 121 ALA T Protein S 2 FT #SUB 107 106 HIS O 119 118 SER T Protein S 4 FT #SUB 107 106 HIS O 120 119 PRO T Protein A 5 FT #SUB 108 107 ALA O 120 119 PRO T Protein A 2 FT #SUB 114 113 ARG O 116 115 SER T Protein S 1 FT #SUB 114 113 ARG O 120 119 PRO T Protein S 2 FT #SUB 116 115 SER O 114 113 ARG T Protein B 1 FT #SUB 119 118 SER O 105 104 ASN T Protein B 3 FT #SUB 119 118 SER O 107 106 HIS T Protein A 4 FT #SUB 120 119 PRO O 107 106 HIS T Protein A 4 FT #SUB 120 119 PRO O 108 107 ALA T Protein B 1 FT #SUB 120 119 PRO O 114 113 ARG T Protein S 1 FT #SUB 122 121 ALA O 105 104 ASN T Protein B 2 FT #SUB 123 122 THR O 105 104 ASN T Protein B 2 FT #SUB 123 122 THR O 128 127 GLY T Protein B 4 FT #SUB 124 123 GLY O 127 126 VAL T Protein B 2 FT #SUB 124 123 GLY O 129 128 LEU T Protein B 2 FT #SUB 125 124 VAL O 125 124 VAL T Protein B 1 FT #SUB 125 124 VAL O 126 125 ILE T Protein B 2 FT #SUB 125 124 VAL O 127 126 VAL T Protein B 3 FT #SUB 126 125 ILE O 125 124 VAL T Protein B 2 FT #SUB 126 125 ILE O 129 128 LEU T Protein S 1 FT #SUB 127 126 VAL O 124 123 GLY T Protein B 2 FT #SUB 127 126 VAL O 125 124 VAL T Protein B 3 FT #SUB 128 127 GLY O 123 122 THR T Protein B 4 FT #SUB 128 127 GLY O 124 123 GLY T Protein B 1 FT #SUB 129 128 LEU O 124 123 GLY T Protein S 1 FT #SUB 129 128 LEU O 126 125 ILE T Protein S 2 FT #SUB 129 128 LEU O 140 139 TYR T Protein A 8 FT #SUB 132 131 GLN O 139 138 ARG T Protein S 2 FT #SUB 132 131 GLN O 140 139 TYR T Protein S 9 FT #SUB 132 131 GLN O 143 142 GLU T Protein S 2 FT #SUB 136 135 LEU O 136 135 LEU T Protein A 4 FT #SUB 136 135 LEU O 139 138 ARG T Protein S 1 FT #SUB 139 138 ARG O 132 131 GLN T Protein B 2 FT #SUB 139 138 ARG O 136 135 LEU T Protein S 1 FT #SUB 139 138 ARG O 139 138 ARG T Protein S 15 FT #SUB 140 139 TYR O 129 128 LEU T Protein S 9 FT #SUB 140 139 TYR O 132 131 GLN T Protein A 8 FT #SUB 143 142 GLU O 132 131 GLN T Protein S 1 FT #HET 13 12 ASN O 21 147 GOL O A 5 FT #HET 16 15 ARG O 21 147 GOL O A 9 FT #HET 17 16 LEU O 21 147 GOL O B 2 FT #HET 18 17 GLY O 21 147 GOL O B 1 FT #HET 19 18 ARG O 21 147 GOL O A 3 FT #HET 20 19 ARG O 21 147 GOL O B 1 FT #HET 25 24 TYR O 21 147 GOL O S 5 FT #HET 25 24 TYR O 22 148 FA1 O S 7 FT #HET 76 75 ASN O 22 148 FA1 O S 8 FT #HET 78 77 GLY O 22 148 FA1 O B 8 FT #HET 79 78 GLY O 22 148 FA1 O B 2 FT #HET 82 81 HIS O 22 148 FA1 O S 4 FT #HET 85 84 VAL O 26 148 FA1 Q S 1 FT #HET 89 88 ASP O 26 148 FA1 Q S 2 FT #HET 93 92 GLU O 25 147 GOL Q S 4 FT #HET 102 101 HIS O 22 148 FA1 O A 13 FT #HET 103 102 ILE O 22 148 FA1 O A 9 FT #HET 104 103 SER O 22 148 FA1 O A 7 FT #HET 106 105 VAL O 22 148 FA1 O S 1 FT #HET 113 112 ARG O 22 148 FA1 O S 7 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AP STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 56 55 GLU P 80 79 LEU R Protein S 1 FT #SUB 57 56 ALA P 54 53 ASP R Protein A 3 FT #SUB 57 56 ALA P 55 54 SER R Protein S 2 FT #SUB 60 59 LEU P 12 11 PRO R Protein S 1 FT #SUB 60 59 LEU P 13 12 ASN R Protein S 1 FT #SUB 60 59 LEU P 54 53 ASP R Protein S 2 FT #SUB 64 63 HIS P 13 12 ASN R Protein S 4 FT #SUB 64 63 HIS P 16 15 ARG R Protein A 10 FT #SUB 64 63 HIS P 54 53 ASP R Protein S 2 FT #SUB 67 66 ALA P 16 15 ARG R Protein S 1 FT #SUB 68 67 ASP P 16 15 ARG R Protein S 9 FT #SUB 83 82 THR P 83 82 THR R Protein B 2 FT #SUB 85 84 VAL P 79 78 GLY R Protein S 3 FT #SUB 85 84 VAL P 83 82 THR R Protein S 1 FT #SUB 85 84 VAL P 112 111 PHE R Protein S 3 FT #SUB 86 85 ALA P 12 11 PRO R Protein S 1 FT #SUB 86 85 ALA P 13 12 ASN R Protein B 4 FT #SUB 88 87 ARG P 110 109 GLU R Protein S 3 FT #SUB 88 87 ARG P 112 111 PHE R Protein S 7 FT #SUB 89 88 ASP P 13 12 ASN R Protein S 1 FT #SUB 89 88 ASP P 113 112 ARG R Protein S 8 FT #SUB 90 89 ALA P 13 12 ASN R Protein A 2 FT #SUB 93 92 GLU P 16 15 ARG R Protein S 5 FT #SUB 117 116 TYR P 112 111 PHE R Protein S 2 FT #SUB 12 11 PRO P 60 59 LEU S Protein S 1 FT #SUB 12 11 PRO P 86 85 ALA S Protein S 1 FT #SUB 13 12 ASN P 60 59 LEU S Protein S 1 FT #SUB 13 12 ASN P 64 63 HIS S Protein S 3 FT #SUB 13 12 ASN P 86 85 ALA S Protein S 2 FT #SUB 13 12 ASN P 89 88 ASP S Protein S 1 FT #SUB 13 12 ASN P 90 89 ALA S Protein S 2 FT #SUB 16 15 ARG P 64 63 HIS S Protein S 12 FT #SUB 16 15 ARG P 68 67 ASP S Protein S 8 FT #SUB 16 15 ARG P 93 92 GLU S Protein S 4 FT #SUB 19 18 ARG P 68 67 ASP S Protein S 1 FT #SUB 20 19 ARG P 68 67 ASP S Protein S 1 FT #SUB 20 19 ARG P 93 92 GLU S Protein S 6 FT #SUB 54 53 ASP P 57 56 ALA S Protein B 1 FT #SUB 54 53 ASP P 60 59 LEU S Protein B 1 FT #SUB 54 53 ASP P 64 63 HIS S Protein S 2 FT #SUB 55 54 SER P 57 56 ALA S Protein S 1 FT #SUB 79 78 GLY P 85 84 VAL S Protein B 2 FT #SUB 83 82 THR P 83 82 THR S Protein S 2 FT #SUB 83 82 THR P 85 84 VAL S Protein S 1 FT #SUB 112 111 PHE P 85 84 VAL S Protein S 1 FT #SUB 112 111 PHE P 88 87 ARG S Protein S 5 FT #SUB 113 112 ARG P 85 84 VAL S Protein S 1 FT #SUB 113 112 ARG P 89 88 ASP S Protein S 8 FT #SUB 105 104 ASN P 119 118 SER U Protein S 3 FT #SUB 105 104 ASN P 122 121 ALA U Protein S 2 FT #SUB 105 104 ASN P 123 122 THR U Protein S 2 FT #SUB 107 106 HIS P 119 118 SER U Protein S 3 FT #SUB 107 106 HIS P 120 119 PRO U Protein B 5 FT #SUB 108 107 ALA P 120 119 PRO U Protein S 1 FT #SUB 114 113 ARG P 116 115 SER U Protein S 1 FT #SUB 114 113 ARG P 120 119 PRO U Protein S 2 FT #SUB 116 115 SER P 114 113 ARG U Protein B 1 FT #SUB 119 118 SER P 105 104 ASN U Protein B 4 FT #SUB 119 118 SER P 107 106 HIS U Protein S 3 FT #SUB 120 119 PRO P 107 106 HIS U Protein A 4 FT #SUB 120 119 PRO P 108 107 ALA U Protein B 1 FT #SUB 120 119 PRO P 114 113 ARG U Protein S 1 FT #SUB 122 121 ALA P 105 104 ASN U Protein B 2 FT #SUB 123 122 THR P 105 104 ASN U Protein B 2 FT #SUB 123 122 THR P 128 127 GLY U Protein B 3 FT #SUB 124 123 GLY P 127 126 VAL U Protein B 2 FT #SUB 124 123 GLY P 129 128 LEU U Protein B 1 FT #SUB 125 124 VAL P 125 124 VAL U Protein B 1 FT #SUB 125 124 VAL P 126 125 ILE U Protein B 2 FT #SUB 125 124 VAL P 127 126 VAL U Protein B 4 FT #SUB 126 125 ILE P 125 124 VAL U Protein B 2 FT #SUB 126 125 ILE P 129 128 LEU U Protein S 2 FT #SUB 127 126 VAL P 124 123 GLY U Protein B 3 FT #SUB 127 126 VAL P 125 124 VAL U Protein B 5 FT #SUB 128 127 GLY P 123 122 THR U Protein B 4 FT #SUB 128 127 GLY P 124 123 GLY U Protein B 1 FT #SUB 129 128 LEU P 124 123 GLY U Protein S 1 FT #SUB 129 128 LEU P 126 125 ILE U Protein S 2 FT #SUB 129 128 LEU P 140 139 TYR U Protein A 7 FT #SUB 132 131 GLN P 139 138 ARG U Protein S 2 FT #SUB 132 131 GLN P 140 139 TYR U Protein S 6 FT #SUB 132 131 GLN P 143 142 GLU U Protein S 5 FT #SUB 136 135 LEU P 136 135 LEU U Protein A 5 FT #SUB 136 135 LEU P 139 138 ARG U Protein S 2 FT #SUB 136 135 LEU P 140 139 TYR U Protein S 1 FT #SUB 139 138 ARG P 132 131 GLN U Protein B 2 FT #SUB 139 138 ARG P 136 135 LEU U Protein S 2 FT #SUB 139 138 ARG P 139 138 ARG U Protein S 14 FT #SUB 140 139 TYR P 129 128 LEU U Protein S 7 FT #SUB 140 139 TYR P 132 131 GLN U Protein A 3 FT #HET 13 12 ASN P 23 147 GOL P A 5 FT #HET 14 13 LEU P 23 147 GOL P B 1 FT #HET 16 15 ARG P 23 147 GOL P A 8 FT #HET 17 16 LEU P 23 147 GOL P B 3 FT #HET 19 18 ARG P 23 147 GOL P B 1 FT #HET 20 19 ARG P 23 147 GOL P B 5 FT #HET 25 24 TYR P 23 147 GOL P S 3 FT #HET 25 24 TYR P 24 148 FA1 P S 6 FT #HET 76 75 ASN P 24 148 FA1 P S 8 FT #HET 78 77 GLY P 24 148 FA1 P B 4 FT #HET 79 78 GLY P 24 148 FA1 P B 2 FT #HET 82 81 HIS P 24 148 FA1 P S 4 FT #HET 89 88 ASP P 27 147 FA1 R S 2 FT #HET 102 101 HIS P 24 148 FA1 P A 11 FT #HET 103 102 ILE P 24 148 FA1 P A 9 FT #HET 104 103 SER P 24 148 FA1 P A 10 FT #HET 106 105 VAL P 24 148 FA1 P S 2 FT #HET 109 108 ARG P 24 148 FA1 P S 1 FT #HET 113 112 ARG P 24 148 FA1 P S 7 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AQ STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 57 56 ALA Q 54 53 ASP N Protein A 2 FT #SUB 57 56 ALA Q 55 54 SER N Protein S 2 FT #SUB 60 59 LEU Q 12 11 PRO N Protein S 1 FT #SUB 64 63 HIS Q 13 12 ASN N Protein S 4 FT #SUB 64 63 HIS Q 16 15 ARG N Protein A 14 FT #SUB 64 63 HIS Q 54 53 ASP N Protein S 2 FT #SUB 67 66 ALA Q 16 15 ARG N Protein S 1 FT #SUB 67 66 ALA Q 20 19 ARG N Protein B 2 FT #SUB 68 67 ASP Q 16 15 ARG N Protein S 9 FT #SUB 68 67 ASP Q 19 18 ARG N Protein S 1 FT #SUB 68 67 ASP Q 20 19 ARG N Protein S 3 FT #SUB 83 82 THR Q 83 82 THR N Protein B 2 FT #SUB 85 84 VAL Q 79 78 GLY N Protein S 3 FT #SUB 85 84 VAL Q 83 82 THR N Protein S 1 FT #SUB 85 84 VAL Q 112 111 PHE N Protein S 1 FT #SUB 85 84 VAL Q 113 112 ARG N Protein S 1 FT #SUB 86 85 ALA Q 12 11 PRO N Protein S 1 FT #SUB 86 85 ALA Q 13 12 ASN N Protein B 3 FT #SUB 88 87 ARG Q 110 109 GLU N Protein S 3 FT #SUB 88 87 ARG Q 112 111 PHE N Protein S 7 FT #SUB 89 88 ASP Q 13 12 ASN N Protein S 1 FT #SUB 89 88 ASP Q 113 112 ARG N Protein S 8 FT #SUB 90 89 ALA Q 13 12 ASN N Protein A 2 FT #SUB 93 92 GLU Q 16 15 ARG N Protein S 4 FT #SUB 93 92 GLU Q 20 19 ARG N Protein A 8 FT #SUB 117 116 TYR Q 112 111 PHE N Protein S 1 FT #SUB 12 11 PRO Q 60 59 LEU O Protein S 1 FT #SUB 12 11 PRO Q 86 85 ALA O Protein S 1 FT #SUB 13 12 ASN Q 64 63 HIS O Protein S 4 FT #SUB 13 12 ASN Q 86 85 ALA O Protein S 4 FT #SUB 13 12 ASN Q 89 88 ASP O Protein S 1 FT #SUB 13 12 ASN Q 90 89 ALA O Protein S 2 FT #SUB 16 15 ARG Q 64 63 HIS O Protein S 13 FT #SUB 16 15 ARG Q 67 66 ALA O Protein S 1 FT #SUB 16 15 ARG Q 68 67 ASP O Protein S 9 FT #SUB 16 15 ARG Q 93 92 GLU O Protein S 5 FT #SUB 19 18 ARG Q 68 67 ASP O Protein S 3 FT #SUB 54 53 ASP Q 57 56 ALA O Protein B 3 FT #SUB 54 53 ASP Q 64 63 HIS O Protein S 3 FT #SUB 79 78 GLY Q 85 84 VAL O Protein B 3 FT #SUB 79 78 GLY Q 86 85 ALA O Protein B 1 FT #SUB 83 82 THR Q 83 82 THR O Protein S 2 FT #SUB 83 82 THR Q 85 84 VAL O Protein S 1 FT #SUB 110 109 GLU Q 88 87 ARG O Protein S 3 FT #SUB 112 111 PHE Q 85 84 VAL O Protein S 2 FT #SUB 112 111 PHE Q 88 87 ARG O Protein S 7 FT #SUB 112 111 PHE Q 117 116 TYR O Protein S 2 FT #SUB 113 112 ARG Q 85 84 VAL O Protein S 1 FT #SUB 113 112 ARG Q 89 88 ASP O Protein S 8 FT #SUB 105 104 ASN Q 119 118 SER W Protein S 3 FT #SUB 105 104 ASN Q 122 121 ALA W Protein S 2 FT #SUB 105 104 ASN Q 123 122 THR W Protein S 2 FT #SUB 107 106 HIS Q 119 118 SER W Protein S 4 FT #SUB 107 106 HIS Q 120 119 PRO W Protein A 5 FT #SUB 108 107 ALA Q 120 119 PRO W Protein S 1 FT #SUB 114 113 ARG Q 116 115 SER W Protein S 1 FT #SUB 114 113 ARG Q 120 119 PRO W Protein S 4 FT #SUB 116 115 SER Q 114 113 ARG W Protein B 2 FT #SUB 119 118 SER Q 105 104 ASN W Protein B 3 FT #SUB 119 118 SER Q 107 106 HIS W Protein A 4 FT #SUB 120 119 PRO Q 107 106 HIS W Protein A 4 FT #SUB 120 119 PRO Q 108 107 ALA W Protein B 1 FT #SUB 120 119 PRO Q 114 113 ARG W Protein S 1 FT #SUB 122 121 ALA Q 105 104 ASN W Protein B 2 FT #SUB 123 122 THR Q 105 104 ASN W Protein B 2 FT #SUB 123 122 THR Q 128 127 GLY W Protein B 4 FT #SUB 124 123 GLY Q 127 126 VAL W Protein B 2 FT #SUB 124 123 GLY Q 128 127 GLY W Protein B 1 FT #SUB 124 123 GLY Q 129 128 LEU W Protein B 1 FT #SUB 125 124 VAL Q 125 124 VAL W Protein B 1 FT #SUB 125 124 VAL Q 126 125 ILE W Protein B 2 FT #SUB 125 124 VAL Q 127 126 VAL W Protein B 5 FT #SUB 126 125 ILE Q 125 124 VAL W Protein B 2 FT #SUB 126 125 ILE Q 129 128 LEU W Protein S 2 FT #SUB 127 126 VAL Q 124 123 GLY W Protein B 2 FT #SUB 127 126 VAL Q 125 124 VAL W Protein B 3 FT #SUB 128 127 GLY Q 123 122 THR W Protein B 4 FT #SUB 129 128 LEU Q 124 123 GLY W Protein S 1 FT #SUB 129 128 LEU Q 126 125 ILE W Protein S 2 FT #SUB 129 128 LEU Q 140 139 TYR W Protein A 7 FT #SUB 132 131 GLN Q 139 138 ARG W Protein S 2 FT #SUB 132 131 GLN Q 140 139 TYR W Protein S 3 FT #SUB 132 131 GLN Q 143 142 GLU W Protein S 2 FT #SUB 136 135 LEU Q 136 135 LEU W Protein A 5 FT #SUB 136 135 LEU Q 139 138 ARG W Protein S 2 FT #SUB 139 138 ARG Q 132 131 GLN W Protein A 4 FT #SUB 139 138 ARG Q 136 135 LEU W Protein S 1 FT #SUB 139 138 ARG Q 139 138 ARG W Protein S 13 FT #SUB 140 139 TYR Q 129 128 LEU W Protein S 6 FT #SUB 140 139 TYR Q 132 131 GLN W Protein A 6 FT #SUB 143 142 GLU Q 132 131 GLN W Protein S 2 FT #SUB 144 143 HIS Q 132 131 GLN W Protein B 1 FT #HET 13 12 ASN Q 25 147 GOL Q A 3 FT #HET 16 15 ARG Q 25 147 GOL Q B 2 FT #HET 19 18 ARG Q 25 147 GOL Q B 3 FT #HET 25 24 TYR Q 25 147 GOL Q S 3 FT #HET 25 24 TYR Q 26 148 FA1 Q S 6 FT #HET 76 75 ASN Q 26 148 FA1 Q S 7 FT #HET 78 77 GLY Q 26 148 FA1 Q B 8 FT #HET 79 78 GLY Q 26 148 FA1 Q B 2 FT #HET 82 81 HIS Q 26 148 FA1 Q S 4 FT #HET 89 88 ASP Q 20 147 FA1 N S 2 FT #HET 102 101 HIS Q 26 148 FA1 Q A 13 FT #HET 103 102 ILE Q 26 148 FA1 Q A 8 FT #HET 104 103 SER Q 26 148 FA1 Q A 7 FT #HET 106 105 VAL Q 26 148 FA1 Q S 1 FT #HET 109 108 ARG Q 26 148 FA1 Q S 1 FT #HET 113 112 ARG Q 26 148 FA1 Q S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AR STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 105 104 ASN R 119 118 SER N Protein S 3 FT #SUB 105 104 ASN R 122 121 ALA N Protein S 2 FT #SUB 105 104 ASN R 123 122 THR N Protein S 2 FT #SUB 107 106 HIS R 119 118 SER N Protein S 3 FT #SUB 107 106 HIS R 120 119 PRO N Protein B 4 FT #SUB 108 107 ALA R 120 119 PRO N Protein S 1 FT #SUB 114 113 ARG R 116 115 SER N Protein S 1 FT #SUB 114 113 ARG R 120 119 PRO N Protein S 4 FT #SUB 116 115 SER R 114 113 ARG N Protein B 1 FT #SUB 119 118 SER R 105 104 ASN N Protein B 3 FT #SUB 119 118 SER R 107 106 HIS N Protein A 4 FT #SUB 120 119 PRO R 107 106 HIS N Protein A 4 FT #SUB 120 119 PRO R 108 107 ALA N Protein B 1 FT #SUB 120 119 PRO R 114 113 ARG N Protein S 4 FT #SUB 122 121 ALA R 105 104 ASN N Protein B 2 FT #SUB 123 122 THR R 105 104 ASN N Protein B 2 FT #SUB 123 122 THR R 128 127 GLY N Protein B 3 FT #SUB 124 123 GLY R 127 126 VAL N Protein B 2 FT #SUB 124 123 GLY R 129 128 LEU N Protein B 2 FT #SUB 125 124 VAL R 125 124 VAL N Protein B 1 FT #SUB 125 124 VAL R 126 125 ILE N Protein B 2 FT #SUB 125 124 VAL R 127 126 VAL N Protein B 4 FT #SUB 126 125 ILE R 125 124 VAL N Protein B 2 FT #SUB 126 125 ILE R 129 128 LEU N Protein S 1 FT #SUB 127 126 VAL R 124 123 GLY N Protein B 2 FT #SUB 127 126 VAL R 125 124 VAL N Protein B 4 FT #SUB 128 127 GLY R 123 122 THR N Protein B 4 FT #SUB 129 128 LEU R 124 123 GLY N Protein S 1 FT #SUB 129 128 LEU R 126 125 ILE N Protein S 2 FT #SUB 129 128 LEU R 140 139 TYR N Protein A 9 FT #SUB 132 131 GLN R 139 138 ARG N Protein S 2 FT #SUB 132 131 GLN R 140 139 TYR N Protein S 2 FT #SUB 132 131 GLN R 143 142 GLU N Protein S 3 FT #SUB 136 135 LEU R 136 135 LEU N Protein A 4 FT #SUB 136 135 LEU R 139 138 ARG N Protein S 1 FT #SUB 139 138 ARG R 132 131 GLN N Protein B 2 FT #SUB 139 138 ARG R 136 135 LEU N Protein S 1 FT #SUB 139 138 ARG R 139 138 ARG N Protein S 16 FT #SUB 140 139 TYR R 129 128 LEU N Protein S 8 FT #SUB 140 139 TYR R 132 131 GLN N Protein A 9 FT #SUB 140 139 TYR R 136 135 LEU N Protein S 1 FT #SUB 143 142 GLU R 132 131 GLN N Protein S 4 FT #SUB 12 11 PRO R 60 59 LEU P Protein S 1 FT #SUB 12 11 PRO R 86 85 ALA P Protein S 1 FT #SUB 13 12 ASN R 60 59 LEU P Protein S 1 FT #SUB 13 12 ASN R 64 63 HIS P Protein S 4 FT #SUB 13 12 ASN R 86 85 ALA P Protein S 4 FT #SUB 13 12 ASN R 89 88 ASP P Protein S 1 FT #SUB 13 12 ASN R 90 89 ALA P Protein S 2 FT #SUB 16 15 ARG R 64 63 HIS P Protein S 10 FT #SUB 16 15 ARG R 67 66 ALA P Protein S 1 FT #SUB 16 15 ARG R 68 67 ASP P Protein S 9 FT #SUB 16 15 ARG R 93 92 GLU P Protein S 5 FT #SUB 54 53 ASP R 57 56 ALA P Protein B 3 FT #SUB 54 53 ASP R 60 59 LEU P Protein A 2 FT #SUB 54 53 ASP R 64 63 HIS P Protein S 2 FT #SUB 55 54 SER R 57 56 ALA P Protein A 2 FT #SUB 79 78 GLY R 85 84 VAL P Protein B 3 FT #SUB 80 79 LEU R 56 55 GLU P Protein S 1 FT #SUB 83 82 THR R 83 82 THR P Protein S 2 FT #SUB 83 82 THR R 85 84 VAL P Protein S 1 FT #SUB 110 109 GLU R 88 87 ARG P Protein S 3 FT #SUB 112 111 PHE R 85 84 VAL P Protein S 3 FT #SUB 112 111 PHE R 88 87 ARG P Protein S 7 FT #SUB 112 111 PHE R 117 116 TYR P Protein S 2 FT #SUB 113 112 ARG R 89 88 ASP P Protein S 8 FT #SUB 57 56 ALA R 54 53 ASP S Protein A 3 FT #SUB 57 56 ALA R 55 54 SER S Protein S 3 FT #SUB 60 59 LEU R 12 11 PRO S Protein S 1 FT #SUB 60 59 LEU R 54 53 ASP S Protein S 2 FT #SUB 64 63 HIS R 13 12 ASN S Protein S 4 FT #SUB 64 63 HIS R 16 15 ARG S Protein A 12 FT #SUB 64 63 HIS R 54 53 ASP S Protein S 2 FT #SUB 67 66 ALA R 16 15 ARG S Protein S 1 FT #SUB 67 66 ALA R 20 19 ARG S Protein B 1 FT #SUB 68 67 ASP R 16 15 ARG S Protein S 9 FT #SUB 68 67 ASP R 20 19 ARG S Protein S 1 FT #SUB 83 82 THR R 83 82 THR S Protein B 2 FT #SUB 85 84 VAL R 79 78 GLY S Protein S 3 FT #SUB 85 84 VAL R 83 82 THR S Protein A 2 FT #SUB 85 84 VAL R 112 111 PHE S Protein S 3 FT #SUB 85 84 VAL R 113 112 ARG S Protein S 1 FT #SUB 86 85 ALA R 12 11 PRO S Protein S 1 FT #SUB 86 85 ALA R 13 12 ASN S Protein B 3 FT #SUB 88 87 ARG R 110 109 GLU S Protein S 5 FT #SUB 88 87 ARG R 112 111 PHE S Protein S 6 FT #SUB 89 88 ASP R 13 12 ASN S Protein S 1 FT #SUB 89 88 ASP R 113 112 ARG S Protein S 8 FT #SUB 90 89 ALA R 13 12 ASN S Protein A 3 FT #SUB 93 92 GLU R 16 15 ARG S Protein S 5 FT #SUB 93 92 GLU R 20 19 ARG S Protein A 7 FT #SUB 117 116 TYR R 112 111 PHE S Protein S 1 FT #HET 25 24 TYR R 27 147 FA1 R S 7 FT #HET 76 75 ASN R 27 147 FA1 R S 7 FT #HET 78 77 GLY R 27 147 FA1 R B 6 FT #HET 79 78 GLY R 27 147 FA1 R B 2 FT #HET 82 81 HIS R 27 147 FA1 R S 4 FT #HET 89 88 ASP R 28 147 FA1 S S 3 FT #HET 102 101 HIS R 27 147 FA1 R A 9 FT #HET 103 102 ILE R 27 147 FA1 R A 10 FT #HET 104 103 SER R 27 147 FA1 R A 8 FT #HET 106 105 VAL R 27 147 FA1 R S 2 FT #HET 113 112 ARG R 27 147 FA1 R S 7 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AS STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 105 104 ASN S 119 118 SER M Protein S 3 FT #SUB 105 104 ASN S 122 121 ALA M Protein S 2 FT #SUB 105 104 ASN S 123 122 THR M Protein S 2 FT #SUB 107 106 HIS S 119 118 SER M Protein S 4 FT #SUB 107 106 HIS S 120 119 PRO M Protein B 4 FT #SUB 108 107 ALA S 120 119 PRO M Protein S 1 FT #SUB 114 113 ARG S 115 114 HIS M Protein S 1 FT #SUB 114 113 ARG S 116 115 SER M Protein S 1 FT #SUB 114 113 ARG S 119 118 SER M Protein S 1 FT #SUB 114 113 ARG S 120 119 PRO M Protein S 4 FT #SUB 116 115 SER S 114 113 ARG M Protein B 1 FT #SUB 119 118 SER S 105 104 ASN M Protein B 3 FT #SUB 119 118 SER S 107 106 HIS M Protein A 4 FT #SUB 120 119 PRO S 107 106 HIS M Protein A 4 FT #SUB 120 119 PRO S 108 107 ALA M Protein B 2 FT #SUB 120 119 PRO S 114 113 ARG M Protein S 4 FT #SUB 122 121 ALA S 105 104 ASN M Protein B 2 FT #SUB 123 122 THR S 105 104 ASN M Protein B 2 FT #SUB 123 122 THR S 128 127 GLY M Protein B 4 FT #SUB 124 123 GLY S 127 126 VAL M Protein B 2 FT #SUB 124 123 GLY S 128 127 GLY M Protein B 1 FT #SUB 124 123 GLY S 129 128 LEU M Protein B 1 FT #SUB 125 124 VAL S 125 124 VAL M Protein B 1 FT #SUB 125 124 VAL S 126 125 ILE M Protein B 2 FT #SUB 125 124 VAL S 127 126 VAL M Protein B 3 FT #SUB 126 125 ILE S 125 124 VAL M Protein B 2 FT #SUB 126 125 ILE S 129 128 LEU M Protein S 2 FT #SUB 127 126 VAL S 124 123 GLY M Protein B 2 FT #SUB 127 126 VAL S 125 124 VAL M Protein B 3 FT #SUB 128 127 GLY S 123 122 THR M Protein B 4 FT #SUB 128 127 GLY S 124 123 GLY M Protein B 1 FT #SUB 129 128 LEU S 124 123 GLY M Protein S 1 FT #SUB 129 128 LEU S 126 125 ILE M Protein S 2 FT #SUB 129 128 LEU S 140 139 TYR M Protein A 8 FT #SUB 132 131 GLN S 139 138 ARG M Protein S 2 FT #SUB 132 131 GLN S 140 139 TYR M Protein S 8 FT #SUB 132 131 GLN S 143 142 GLU M Protein S 2 FT #SUB 136 135 LEU S 136 135 LEU M Protein A 3 FT #SUB 139 138 ARG S 132 131 GLN M Protein B 2 FT #SUB 139 138 ARG S 136 135 LEU M Protein S 1 FT #SUB 139 138 ARG S 139 138 ARG M Protein S 16 FT #SUB 140 139 TYR S 129 128 LEU M Protein S 9 FT #SUB 140 139 TYR S 132 131 GLN M Protein A 7 FT #SUB 143 142 GLU S 132 131 GLN M Protein S 2 FT #SUB 57 56 ALA S 54 53 ASP P Protein S 1 FT #SUB 57 56 ALA S 55 54 SER P Protein S 1 FT #SUB 60 59 LEU S 12 11 PRO P Protein S 1 FT #SUB 60 59 LEU S 13 12 ASN P Protein S 1 FT #SUB 60 59 LEU S 54 53 ASP P Protein S 1 FT #SUB 64 63 HIS S 13 12 ASN P Protein S 3 FT #SUB 64 63 HIS S 16 15 ARG P Protein A 12 FT #SUB 64 63 HIS S 54 53 ASP P Protein S 2 FT #SUB 68 67 ASP S 16 15 ARG P Protein S 8 FT #SUB 68 67 ASP S 19 18 ARG P Protein S 1 FT #SUB 68 67 ASP S 20 19 ARG P Protein S 1 FT #SUB 83 82 THR S 83 82 THR P Protein B 2 FT #SUB 85 84 VAL S 79 78 GLY P Protein S 2 FT #SUB 85 84 VAL S 83 82 THR P Protein S 1 FT #SUB 85 84 VAL S 112 111 PHE P Protein S 1 FT #SUB 85 84 VAL S 113 112 ARG P Protein S 1 FT #SUB 86 85 ALA S 12 11 PRO P Protein S 1 FT #SUB 86 85 ALA S 13 12 ASN P Protein B 2 FT #SUB 88 87 ARG S 112 111 PHE P Protein S 5 FT #SUB 89 88 ASP S 13 12 ASN P Protein S 1 FT #SUB 89 88 ASP S 113 112 ARG P Protein S 8 FT #SUB 90 89 ALA S 13 12 ASN P Protein A 2 FT #SUB 93 92 GLU S 16 15 ARG P Protein S 4 FT #SUB 93 92 GLU S 20 19 ARG P Protein A 6 FT #SUB 12 11 PRO S 60 59 LEU R Protein S 1 FT #SUB 12 11 PRO S 86 85 ALA R Protein S 1 FT #SUB 13 12 ASN S 64 63 HIS R Protein S 4 FT #SUB 13 12 ASN S 86 85 ALA R Protein S 3 FT #SUB 13 12 ASN S 89 88 ASP R Protein S 1 FT #SUB 13 12 ASN S 90 89 ALA R Protein S 3 FT #SUB 16 15 ARG S 64 63 HIS R Protein S 12 FT #SUB 16 15 ARG S 67 66 ALA R Protein S 1 FT #SUB 16 15 ARG S 68 67 ASP R Protein S 9 FT #SUB 16 15 ARG S 93 92 GLU R Protein S 5 FT #SUB 20 19 ARG S 67 66 ALA R Protein S 1 FT #SUB 20 19 ARG S 68 67 ASP R Protein S 1 FT #SUB 20 19 ARG S 93 92 GLU R Protein S 7 FT #SUB 54 53 ASP S 57 56 ALA R Protein B 3 FT #SUB 54 53 ASP S 60 59 LEU R Protein A 2 FT #SUB 54 53 ASP S 64 63 HIS R Protein S 2 FT #SUB 55 54 SER S 57 56 ALA R Protein A 3 FT #SUB 79 78 GLY S 85 84 VAL R Protein B 3 FT #SUB 83 82 THR S 83 82 THR R Protein S 2 FT #SUB 83 82 THR S 85 84 VAL R Protein S 2 FT #SUB 110 109 GLU S 88 87 ARG R Protein S 5 FT #SUB 112 111 PHE S 85 84 VAL R Protein S 3 FT #SUB 112 111 PHE S 88 87 ARG R Protein S 6 FT #SUB 112 111 PHE S 117 116 TYR R Protein S 1 FT #SUB 113 112 ARG S 85 84 VAL R Protein S 1 FT #SUB 113 112 ARG S 89 88 ASP R Protein S 8 FT #HET 25 24 TYR S 28 147 FA1 S S 9 FT #HET 76 75 ASN S 28 147 FA1 S S 8 FT #HET 78 77 GLY S 28 147 FA1 S B 7 FT #HET 79 78 GLY S 28 147 FA1 S B 2 FT #HET 82 81 HIS S 28 147 FA1 S S 4 FT #HET 89 88 ASP S 24 148 FA1 P S 2 FT #HET 102 101 HIS S 28 147 FA1 S A 13 FT #HET 103 102 ILE S 28 147 FA1 S A 7 FT #HET 104 103 SER S 28 147 FA1 S A 7 FT #HET 106 105 VAL S 28 147 FA1 S S 2 FT #HET 113 112 ARG S 28 147 FA1 S S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AT STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 105 104 ASN T 119 118 SER O Protein S 3 FT #SUB 105 104 ASN T 122 121 ALA O Protein S 2 FT #SUB 105 104 ASN T 123 122 THR O Protein S 2 FT #SUB 107 106 HIS T 119 118 SER O Protein S 4 FT #SUB 107 106 HIS T 120 119 PRO O Protein B 4 FT #SUB 108 107 ALA T 120 119 PRO O Protein S 1 FT #SUB 114 113 ARG T 116 115 SER O Protein S 1 FT #SUB 114 113 ARG T 120 119 PRO O Protein S 1 FT #SUB 116 115 SER T 114 113 ARG O Protein B 1 FT #SUB 119 118 SER T 105 104 ASN O Protein B 3 FT #SUB 119 118 SER T 107 106 HIS O Protein A 4 FT #SUB 120 119 PRO T 107 106 HIS O Protein A 5 FT #SUB 120 119 PRO T 108 107 ALA O Protein B 2 FT #SUB 120 119 PRO T 114 113 ARG O Protein S 2 FT #SUB 122 121 ALA T 105 104 ASN O Protein B 2 FT #SUB 123 122 THR T 128 127 GLY O Protein B 4 FT #SUB 124 123 GLY T 127 126 VAL O Protein B 2 FT #SUB 124 123 GLY T 128 127 GLY O Protein B 1 FT #SUB 124 123 GLY T 129 128 LEU O Protein B 1 FT #SUB 125 124 VAL T 125 124 VAL O Protein B 1 FT #SUB 125 124 VAL T 126 125 ILE O Protein B 2 FT #SUB 125 124 VAL T 127 126 VAL O Protein B 3 FT #SUB 126 125 ILE T 125 124 VAL O Protein B 2 FT #SUB 126 125 ILE T 129 128 LEU O Protein S 2 FT #SUB 127 126 VAL T 124 123 GLY O Protein B 2 FT #SUB 127 126 VAL T 125 124 VAL O Protein B 3 FT #SUB 128 127 GLY T 123 122 THR O Protein B 4 FT #SUB 129 128 LEU T 99 98 ILE O Protein S 1 FT #SUB 129 128 LEU T 124 123 GLY O Protein S 2 FT #SUB 129 128 LEU T 126 125 ILE O Protein S 1 FT #SUB 129 128 LEU T 140 139 TYR O Protein A 9 FT #SUB 132 131 GLN T 139 138 ARG O Protein S 2 FT #SUB 132 131 GLN T 140 139 TYR O Protein S 8 FT #SUB 132 131 GLN T 143 142 GLU O Protein S 1 FT #SUB 136 135 LEU T 136 135 LEU O Protein A 4 FT #SUB 136 135 LEU T 139 138 ARG O Protein S 1 FT #SUB 139 138 ARG T 132 131 GLN O Protein B 2 FT #SUB 139 138 ARG T 136 135 LEU O Protein S 1 FT #SUB 139 138 ARG T 139 138 ARG O Protein S 15 FT #SUB 140 139 TYR T 129 128 LEU O Protein S 8 FT #SUB 140 139 TYR T 132 131 GLN O Protein A 9 FT #SUB 143 142 GLU T 132 131 GLN O Protein S 2 FT #SUB 57 56 ALA T 54 53 ASP U Protein S 1 FT #SUB 60 59 LEU T 12 11 PRO U Protein S 1 FT #SUB 60 59 LEU T 13 12 ASN U Protein S 1 FT #SUB 60 59 LEU T 54 53 ASP U Protein S 1 FT #SUB 64 63 HIS T 13 12 ASN U Protein S 4 FT #SUB 64 63 HIS T 16 15 ARG U Protein A 10 FT #SUB 64 63 HIS T 54 53 ASP U Protein S 3 FT #SUB 67 66 ALA T 16 15 ARG U Protein S 1 FT #SUB 68 67 ASP T 16 15 ARG U Protein S 8 FT #SUB 83 82 THR T 83 82 THR U Protein B 2 FT #SUB 85 84 VAL T 79 78 GLY U Protein S 2 FT #SUB 85 84 VAL T 83 82 THR U Protein S 1 FT #SUB 85 84 VAL T 112 111 PHE U Protein S 1 FT #SUB 85 84 VAL T 113 112 ARG U Protein S 1 FT #SUB 86 85 ALA T 12 11 PRO U Protein S 1 FT #SUB 86 85 ALA T 13 12 ASN U Protein B 4 FT #SUB 88 87 ARG T 110 109 GLU U Protein S 2 FT #SUB 88 87 ARG T 112 111 PHE U Protein S 7 FT #SUB 89 88 ASP T 13 12 ASN U Protein S 1 FT #SUB 89 88 ASP T 113 112 ARG U Protein S 8 FT #SUB 90 89 ALA T 13 12 ASN U Protein A 2 FT #SUB 93 92 GLU T 16 15 ARG U Protein S 3 FT #SUB 93 92 GLU T 20 19 ARG U Protein B 3 FT #SUB 94 93 LEU T 20 19 ARG U Protein B 1 FT #SUB 95 94 SER T 20 19 ARG U Protein B 1 FT #SUB 117 116 TYR T 112 111 PHE U Protein S 1 FT #SUB 12 11 PRO T 60 59 LEU V Protein S 1 FT #SUB 12 11 PRO T 86 85 ALA V Protein S 1 FT #SUB 13 12 ASN T 60 59 LEU V Protein S 1 FT #SUB 13 12 ASN T 64 63 HIS V Protein S 4 FT #SUB 13 12 ASN T 86 85 ALA V Protein S 3 FT #SUB 13 12 ASN T 89 88 ASP V Protein S 1 FT #SUB 13 12 ASN T 90 89 ALA V Protein S 2 FT #SUB 16 15 ARG T 64 63 HIS V Protein S 18 FT #SUB 16 15 ARG T 67 66 ALA V Protein S 1 FT #SUB 16 15 ARG T 68 67 ASP V Protein S 8 FT #SUB 16 15 ARG T 93 92 GLU V Protein S 5 FT #SUB 20 19 ARG T 67 66 ALA V Protein S 2 FT #SUB 20 19 ARG T 68 67 ASP V Protein S 3 FT #SUB 20 19 ARG T 93 92 GLU V Protein S 7 FT #SUB 54 53 ASP T 57 56 ALA V Protein B 3 FT #SUB 54 53 ASP T 60 59 LEU V Protein B 1 FT #SUB 54 53 ASP T 64 63 HIS V Protein S 2 FT #SUB 55 54 SER T 57 56 ALA V Protein A 2 FT #SUB 79 78 GLY T 85 84 VAL V Protein B 3 FT #SUB 83 82 THR T 83 82 THR V Protein S 2 FT #SUB 83 82 THR T 85 84 VAL V Protein S 1 FT #SUB 110 109 GLU T 88 87 ARG V Protein S 1 FT #SUB 112 111 PHE T 85 84 VAL V Protein S 3 FT #SUB 112 111 PHE T 88 87 ARG V Protein S 7 FT #SUB 112 111 PHE T 117 116 TYR V Protein S 2 FT #SUB 113 112 ARG T 85 84 VAL V Protein S 1 FT #SUB 113 112 ARG T 89 88 ASP V Protein S 8 FT #HET 13 12 ASN T 29 147 GOL T A 5 FT #HET 16 15 ARG T 29 147 GOL T A 6 FT #HET 17 16 LEU T 29 147 GOL T B 5 FT #HET 18 17 GLY T 29 147 GOL T B 1 FT #HET 19 18 ARG T 29 147 GOL T B 1 FT #HET 20 19 ARG T 29 147 GOL T B 4 FT #HET 25 24 TYR T 29 147 GOL T S 3 FT #HET 25 24 TYR T 30 148 FA1 T S 7 FT #HET 76 75 ASN T 30 148 FA1 T S 10 FT #HET 78 77 GLY T 30 148 FA1 T B 11 FT #HET 79 78 GLY T 30 148 FA1 T B 2 FT #HET 82 81 HIS T 30 148 FA1 T S 4 FT #HET 89 88 ASP T 32 148 FA1 U S 2 FT #HET 93 92 GLU T 31 147 GOL U S 2 FT #HET 102 101 HIS T 30 148 FA1 T A 14 FT #HET 103 102 ILE T 30 148 FA1 T A 9 FT #HET 104 103 SER T 30 148 FA1 T A 7 FT #HET 106 105 VAL T 30 148 FA1 T S 1 FT #HET 113 112 ARG T 30 148 FA1 T S 8 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AU STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 105 104 ASN U 119 118 SER P Protein S 4 FT #SUB 105 104 ASN U 122 121 ALA P Protein S 2 FT #SUB 105 104 ASN U 123 122 THR P Protein S 2 FT #SUB 107 106 HIS U 119 118 SER P Protein S 3 FT #SUB 107 106 HIS U 120 119 PRO P Protein B 4 FT #SUB 108 107 ALA U 120 119 PRO P Protein S 1 FT #SUB 114 113 ARG U 116 115 SER P Protein S 1 FT #SUB 114 113 ARG U 120 119 PRO P Protein S 1 FT #SUB 116 115 SER U 114 113 ARG P Protein B 1 FT #SUB 119 118 SER U 105 104 ASN P Protein B 3 FT #SUB 119 118 SER U 107 106 HIS P Protein A 3 FT #SUB 120 119 PRO U 107 106 HIS P Protein A 5 FT #SUB 120 119 PRO U 108 107 ALA P Protein B 1 FT #SUB 120 119 PRO U 114 113 ARG P Protein S 2 FT #SUB 122 121 ALA U 105 104 ASN P Protein B 2 FT #SUB 123 122 THR U 105 104 ASN P Protein B 2 FT #SUB 123 122 THR U 128 127 GLY P Protein B 4 FT #SUB 124 123 GLY U 127 126 VAL P Protein B 3 FT #SUB 124 123 GLY U 128 127 GLY P Protein B 1 FT #SUB 124 123 GLY U 129 128 LEU P Protein B 1 FT #SUB 125 124 VAL U 125 124 VAL P Protein B 1 FT #SUB 125 124 VAL U 126 125 ILE P Protein B 2 FT #SUB 125 124 VAL U 127 126 VAL P Protein B 5 FT #SUB 126 125 ILE U 125 124 VAL P Protein B 2 FT #SUB 126 125 ILE U 129 128 LEU P Protein S 2 FT #SUB 127 126 VAL U 124 123 GLY P Protein B 2 FT #SUB 127 126 VAL U 125 124 VAL P Protein B 4 FT #SUB 128 127 GLY U 123 122 THR P Protein B 3 FT #SUB 129 128 LEU U 124 123 GLY P Protein S 1 FT #SUB 129 128 LEU U 126 125 ILE P Protein S 2 FT #SUB 129 128 LEU U 140 139 TYR P Protein A 7 FT #SUB 132 131 GLN U 139 138 ARG P Protein S 2 FT #SUB 132 131 GLN U 140 139 TYR P Protein S 3 FT #SUB 136 135 LEU U 136 135 LEU P Protein A 5 FT #SUB 136 135 LEU U 139 138 ARG P Protein S 2 FT #SUB 139 138 ARG U 132 131 GLN P Protein B 2 FT #SUB 139 138 ARG U 136 135 LEU P Protein S 2 FT #SUB 139 138 ARG U 139 138 ARG P Protein S 14 FT #SUB 140 139 TYR U 129 128 LEU P Protein S 7 FT #SUB 140 139 TYR U 132 131 GLN P Protein A 6 FT #SUB 140 139 TYR U 136 135 LEU P Protein S 1 FT #SUB 143 142 GLU U 132 131 GLN P Protein S 5 FT #SUB 12 11 PRO U 60 59 LEU T Protein S 1 FT #SUB 12 11 PRO U 86 85 ALA T Protein S 1 FT #SUB 13 12 ASN U 60 59 LEU T Protein S 1 FT #SUB 13 12 ASN U 64 63 HIS T Protein S 4 FT #SUB 13 12 ASN U 86 85 ALA T Protein S 4 FT #SUB 13 12 ASN U 89 88 ASP T Protein S 1 FT #SUB 13 12 ASN U 90 89 ALA T Protein S 2 FT #SUB 16 15 ARG U 64 63 HIS T Protein S 10 FT #SUB 16 15 ARG U 67 66 ALA T Protein S 1 FT #SUB 16 15 ARG U 68 67 ASP T Protein S 8 FT #SUB 16 15 ARG U 93 92 GLU T Protein S 3 FT #SUB 20 19 ARG U 93 92 GLU T Protein S 3 FT #SUB 20 19 ARG U 94 93 LEU T Protein S 1 FT #SUB 20 19 ARG U 95 94 SER T Protein S 1 FT #SUB 54 53 ASP U 57 56 ALA T Protein B 1 FT #SUB 54 53 ASP U 60 59 LEU T Protein B 1 FT #SUB 54 53 ASP U 64 63 HIS T Protein S 3 FT #SUB 79 78 GLY U 85 84 VAL T Protein B 2 FT #SUB 83 82 THR U 83 82 THR T Protein S 2 FT #SUB 83 82 THR U 85 84 VAL T Protein S 1 FT #SUB 110 109 GLU U 88 87 ARG T Protein S 2 FT #SUB 112 111 PHE U 85 84 VAL T Protein S 1 FT #SUB 112 111 PHE U 88 87 ARG T Protein S 7 FT #SUB 112 111 PHE U 117 116 TYR T Protein S 1 FT #SUB 113 112 ARG U 85 84 VAL T Protein S 1 FT #SUB 113 112 ARG U 89 88 ASP T Protein S 8 FT #SUB 56 55 GLU U 80 79 LEU V Protein S 1 FT #SUB 57 56 ALA U 54 53 ASP V Protein A 3 FT #SUB 60 59 LEU U 12 11 PRO V Protein S 1 FT #SUB 60 59 LEU U 13 12 ASN V Protein S 1 FT #SUB 60 59 LEU U 54 53 ASP V Protein S 1 FT #SUB 64 63 HIS U 13 12 ASN V Protein S 4 FT #SUB 64 63 HIS U 16 15 ARG V Protein A 17 FT #SUB 64 63 HIS U 54 53 ASP V Protein S 2 FT #SUB 67 66 ALA U 16 15 ARG V Protein S 1 FT #SUB 67 66 ALA U 20 19 ARG V Protein B 2 FT #SUB 68 67 ASP U 16 15 ARG V Protein S 9 FT #SUB 68 67 ASP U 19 18 ARG V Protein S 2 FT #SUB 68 67 ASP U 20 19 ARG V Protein A 5 FT #SUB 83 82 THR U 83 82 THR V Protein B 2 FT #SUB 85 84 VAL U 79 78 GLY V Protein S 2 FT #SUB 85 84 VAL U 83 82 THR V Protein A 2 FT #SUB 85 84 VAL U 112 111 PHE V Protein S 1 FT #SUB 85 84 VAL U 113 112 ARG V Protein S 1 FT #SUB 86 85 ALA U 12 11 PRO V Protein S 1 FT #SUB 86 85 ALA U 13 12 ASN V Protein B 2 FT #SUB 86 85 ALA U 79 78 GLY V Protein B 1 FT #SUB 88 87 ARG U 110 109 GLU V Protein S 3 FT #SUB 88 87 ARG U 112 111 PHE V Protein S 7 FT #SUB 89 88 ASP U 13 12 ASN V Protein S 1 FT #SUB 89 88 ASP U 113 112 ARG V Protein S 8 FT #SUB 90 89 ALA U 13 12 ASN V Protein A 2 FT #SUB 93 92 GLU U 16 15 ARG V Protein S 5 FT #SUB 93 92 GLU U 20 19 ARG V Protein A 2 FT #SUB 117 116 TYR U 112 111 PHE V Protein S 2 FT #HET 13 12 ASN U 31 147 GOL U A 6 FT #HET 16 15 ARG U 31 147 GOL U A 7 FT #HET 17 16 LEU U 31 147 GOL U B 3 FT #HET 19 18 ARG U 31 147 GOL U B 2 FT #HET 21 20 GLU U 31 147 GOL U S 2 FT #HET 25 24 TYR U 31 147 GOL U S 2 FT #HET 25 24 TYR U 32 148 FA1 U S 6 FT #HET 76 75 ASN U 32 148 FA1 U S 9 FT #HET 78 77 GLY U 32 148 FA1 U B 9 FT #HET 79 78 GLY U 32 148 FA1 U B 3 FT #HET 82 81 HIS U 32 148 FA1 U S 4 FT #HET 85 84 VAL U 34 148 FA1 V S 1 FT #HET 89 88 ASP U 34 148 FA1 V S 3 FT #HET 93 92 GLU U 33 147 GOL V S 2 FT #HET 102 101 HIS U 32 148 FA1 U A 13 FT #HET 103 102 ILE U 32 148 FA1 U A 9 FT #HET 104 103 SER U 32 148 FA1 U A 7 FT #HET 106 105 VAL U 32 148 FA1 U S 2 FT #HET 113 112 ARG U 32 148 FA1 U S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AV STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 57 56 ALA V 54 53 ASP T Protein A 3 FT #SUB 57 56 ALA V 55 54 SER T Protein S 2 FT #SUB 60 59 LEU V 12 11 PRO T Protein S 1 FT #SUB 60 59 LEU V 13 12 ASN T Protein S 1 FT #SUB 60 59 LEU V 54 53 ASP T Protein S 1 FT #SUB 64 63 HIS V 13 12 ASN T Protein S 4 FT #SUB 64 63 HIS V 16 15 ARG T Protein A 18 FT #SUB 64 63 HIS V 54 53 ASP T Protein S 2 FT #SUB 67 66 ALA V 16 15 ARG T Protein S 1 FT #SUB 67 66 ALA V 20 19 ARG T Protein B 2 FT #SUB 68 67 ASP V 16 15 ARG T Protein S 8 FT #SUB 68 67 ASP V 20 19 ARG T Protein S 3 FT #SUB 83 82 THR V 83 82 THR T Protein B 2 FT #SUB 85 84 VAL V 79 78 GLY T Protein S 3 FT #SUB 85 84 VAL V 83 82 THR T Protein S 1 FT #SUB 85 84 VAL V 112 111 PHE T Protein S 3 FT #SUB 85 84 VAL V 113 112 ARG T Protein S 1 FT #SUB 86 85 ALA V 12 11 PRO T Protein S 1 FT #SUB 86 85 ALA V 13 12 ASN T Protein B 3 FT #SUB 88 87 ARG V 110 109 GLU T Protein S 1 FT #SUB 88 87 ARG V 112 111 PHE T Protein S 7 FT #SUB 89 88 ASP V 13 12 ASN T Protein S 1 FT #SUB 89 88 ASP V 113 112 ARG T Protein S 8 FT #SUB 90 89 ALA V 13 12 ASN T Protein A 2 FT #SUB 93 92 GLU V 16 15 ARG T Protein S 5 FT #SUB 93 92 GLU V 20 19 ARG T Protein A 7 FT #SUB 117 116 TYR V 112 111 PHE T Protein S 2 FT #SUB 12 11 PRO V 60 59 LEU U Protein S 1 FT #SUB 12 11 PRO V 86 85 ALA U Protein S 1 FT #SUB 13 12 ASN V 60 59 LEU U Protein S 1 FT #SUB 13 12 ASN V 64 63 HIS U Protein S 4 FT #SUB 13 12 ASN V 86 85 ALA U Protein S 2 FT #SUB 13 12 ASN V 89 88 ASP U Protein S 1 FT #SUB 13 12 ASN V 90 89 ALA U Protein S 2 FT #SUB 16 15 ARG V 64 63 HIS U Protein S 17 FT #SUB 16 15 ARG V 67 66 ALA U Protein S 1 FT #SUB 16 15 ARG V 68 67 ASP U Protein S 9 FT #SUB 16 15 ARG V 93 92 GLU U Protein S 5 FT #SUB 19 18 ARG V 68 67 ASP U Protein S 2 FT #SUB 20 19 ARG V 67 66 ALA U Protein S 2 FT #SUB 20 19 ARG V 68 67 ASP U Protein S 5 FT #SUB 20 19 ARG V 93 92 GLU U Protein S 2 FT #SUB 54 53 ASP V 57 56 ALA U Protein B 3 FT #SUB 54 53 ASP V 60 59 LEU U Protein B 1 FT #SUB 54 53 ASP V 64 63 HIS U Protein S 2 FT #SUB 79 78 GLY V 85 84 VAL U Protein B 2 FT #SUB 79 78 GLY V 86 85 ALA U Protein B 1 FT #SUB 80 79 LEU V 56 55 GLU U Protein S 1 FT #SUB 83 82 THR V 83 82 THR U Protein S 2 FT #SUB 83 82 THR V 85 84 VAL U Protein S 2 FT #SUB 110 109 GLU V 88 87 ARG U Protein S 3 FT #SUB 112 111 PHE V 85 84 VAL U Protein S 1 FT #SUB 112 111 PHE V 88 87 ARG U Protein S 7 FT #SUB 112 111 PHE V 117 116 TYR U Protein S 2 FT #SUB 113 112 ARG V 85 84 VAL U Protein S 1 FT #SUB 113 112 ARG V 89 88 ASP U Protein S 8 FT #SUB 105 104 ASN V 119 118 SER X Protein S 2 FT #SUB 105 104 ASN V 122 121 ALA X Protein S 2 FT #SUB 105 104 ASN V 123 122 THR X Protein S 2 FT #SUB 107 106 HIS V 119 118 SER X Protein S 4 FT #SUB 107 106 HIS V 120 119 PRO X Protein B 4 FT #SUB 108 107 ALA V 120 119 PRO X Protein S 1 FT #SUB 114 113 ARG V 116 115 SER X Protein S 1 FT #SUB 114 113 ARG V 120 119 PRO X Protein S 2 FT #SUB 116 115 SER V 114 113 ARG X Protein B 1 FT #SUB 119 118 SER V 105 104 ASN X Protein B 3 FT #SUB 119 118 SER V 107 106 HIS X Protein A 4 FT #SUB 119 118 SER V 114 113 ARG X Protein S 1 FT #SUB 120 119 PRO V 107 106 HIS X Protein A 6 FT #SUB 120 119 PRO V 108 107 ALA X Protein B 1 FT #SUB 120 119 PRO V 114 113 ARG X Protein S 4 FT #SUB 122 121 ALA V 105 104 ASN X Protein B 2 FT #SUB 123 122 THR V 105 104 ASN X Protein B 3 FT #SUB 123 122 THR V 128 127 GLY X Protein B 3 FT #SUB 124 123 GLY V 127 126 VAL X Protein B 2 FT #SUB 124 123 GLY V 129 128 LEU X Protein B 1 FT #SUB 125 124 VAL V 125 124 VAL X Protein B 1 FT #SUB 125 124 VAL V 126 125 ILE X Protein B 2 FT #SUB 125 124 VAL V 127 126 VAL X Protein B 4 FT #SUB 126 125 ILE V 125 124 VAL X Protein B 2 FT #SUB 126 125 ILE V 129 128 LEU X Protein S 2 FT #SUB 127 126 VAL V 124 123 GLY X Protein B 2 FT #SUB 127 126 VAL V 125 124 VAL X Protein B 3 FT #SUB 128 127 GLY V 123 122 THR X Protein B 3 FT #SUB 129 128 LEU V 99 98 ILE X Protein S 1 FT #SUB 129 128 LEU V 124 123 GLY X Protein S 1 FT #SUB 129 128 LEU V 126 125 ILE X Protein S 2 FT #SUB 129 128 LEU V 140 139 TYR X Protein A 10 FT #SUB 132 131 GLN V 139 138 ARG X Protein S 3 FT #SUB 132 131 GLN V 140 139 TYR X Protein S 7 FT #SUB 132 131 GLN V 144 143 HIS X Protein S 1 FT #SUB 136 135 LEU V 136 135 LEU X Protein A 6 FT #SUB 136 135 LEU V 139 138 ARG X Protein S 1 FT #SUB 139 138 ARG V 132 131 GLN X Protein A 3 FT #SUB 139 138 ARG V 139 138 ARG X Protein S 16 FT #SUB 140 139 TYR V 129 128 LEU X Protein S 12 FT #SUB 140 139 TYR V 132 131 GLN X Protein A 8 FT #SUB 143 142 GLU V 132 131 GLN X Protein S 3 FT #HET 13 12 ASN V 33 147 GOL V A 4 FT #HET 16 15 ARG V 33 147 GOL V B 3 FT #HET 17 16 LEU V 33 147 GOL V B 2 FT #HET 20 19 ARG V 33 147 GOL V B 1 FT #HET 25 24 TYR V 33 147 GOL V S 8 FT #HET 25 24 TYR V 34 148 FA1 V S 7 FT #HET 76 75 ASN V 34 148 FA1 V S 8 FT #HET 78 77 GLY V 34 148 FA1 V B 9 FT #HET 79 78 GLY V 34 148 FA1 V B 2 FT #HET 82 81 HIS V 34 148 FA1 V S 4 FT #HET 89 88 ASP V 30 148 FA1 T S 3 FT #HET 93 92 GLU V 29 147 GOL T S 1 FT #HET 102 101 HIS V 34 148 FA1 V A 10 FT #HET 103 102 ILE V 34 148 FA1 V A 10 FT #HET 104 103 SER V 34 148 FA1 V A 7 FT #HET 106 105 VAL V 34 148 FA1 V S 2 FT #HET 113 112 ARG V 34 148 FA1 V S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AW STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 12 11 PRO W 60 59 LEU M Protein S 1 FT #SUB 12 11 PRO W 86 85 ALA M Protein S 1 FT #SUB 13 12 ASN W 60 59 LEU M Protein S 1 FT #SUB 13 12 ASN W 64 63 HIS M Protein S 4 FT #SUB 13 12 ASN W 86 85 ALA M Protein S 4 FT #SUB 13 12 ASN W 89 88 ASP M Protein S 1 FT #SUB 13 12 ASN W 90 89 ALA M Protein S 2 FT #SUB 16 15 ARG W 64 63 HIS M Protein S 14 FT #SUB 16 15 ARG W 68 67 ASP M Protein S 9 FT #SUB 16 15 ARG W 93 92 GLU M Protein S 3 FT #SUB 19 18 ARG W 68 67 ASP M Protein S 2 FT #SUB 20 19 ARG W 67 66 ALA M Protein S 4 FT #SUB 20 19 ARG W 93 92 GLU M Protein S 8 FT #SUB 20 19 ARG W 95 94 SER M Protein S 3 FT #SUB 54 53 ASP W 57 56 ALA M Protein B 3 FT #SUB 54 53 ASP W 60 59 LEU M Protein A 2 FT #SUB 54 53 ASP W 64 63 HIS M Protein S 2 FT #SUB 55 54 SER W 57 56 ALA M Protein B 1 FT #SUB 79 78 GLY W 85 84 VAL M Protein B 3 FT #SUB 79 78 GLY W 86 85 ALA M Protein B 1 FT #SUB 83 82 THR W 83 82 THR M Protein S 2 FT #SUB 83 82 THR W 85 84 VAL M Protein S 2 FT #SUB 110 109 GLU W 88 87 ARG M Protein S 5 FT #SUB 112 111 PHE W 85 84 VAL M Protein S 3 FT #SUB 112 111 PHE W 88 87 ARG M Protein S 7 FT #SUB 112 111 PHE W 117 116 TYR M Protein S 1 FT #SUB 113 112 ARG W 85 84 VAL M Protein S 1 FT #SUB 113 112 ARG W 89 88 ASP M Protein S 9 FT #SUB 105 104 ASN W 119 118 SER Q Protein S 3 FT #SUB 105 104 ASN W 122 121 ALA Q Protein S 2 FT #SUB 105 104 ASN W 123 122 THR Q Protein S 2 FT #SUB 107 106 HIS W 119 118 SER Q Protein S 4 FT #SUB 107 106 HIS W 120 119 PRO Q Protein B 4 FT #SUB 108 107 ALA W 120 119 PRO Q Protein S 1 FT #SUB 114 113 ARG W 116 115 SER Q Protein S 2 FT #SUB 114 113 ARG W 120 119 PRO Q Protein S 1 FT #SUB 116 115 SER W 114 113 ARG Q Protein B 1 FT #SUB 119 118 SER W 105 104 ASN Q Protein B 3 FT #SUB 119 118 SER W 107 106 HIS Q Protein A 4 FT #SUB 120 119 PRO W 107 106 HIS Q Protein A 5 FT #SUB 120 119 PRO W 108 107 ALA Q Protein B 1 FT #SUB 120 119 PRO W 114 113 ARG Q Protein S 4 FT #SUB 122 121 ALA W 105 104 ASN Q Protein B 2 FT #SUB 123 122 THR W 105 104 ASN Q Protein B 2 FT #SUB 123 122 THR W 128 127 GLY Q Protein B 4 FT #SUB 124 123 GLY W 127 126 VAL Q Protein B 2 FT #SUB 124 123 GLY W 129 128 LEU Q Protein B 1 FT #SUB 125 124 VAL W 125 124 VAL Q Protein B 1 FT #SUB 125 124 VAL W 126 125 ILE Q Protein B 2 FT #SUB 125 124 VAL W 127 126 VAL Q Protein B 3 FT #SUB 126 125 ILE W 125 124 VAL Q Protein B 2 FT #SUB 126 125 ILE W 129 128 LEU Q Protein S 2 FT #SUB 127 126 VAL W 124 123 GLY Q Protein B 2 FT #SUB 127 126 VAL W 125 124 VAL Q Protein A 5 FT #SUB 128 127 GLY W 123 122 THR Q Protein B 4 FT #SUB 128 127 GLY W 124 123 GLY Q Protein B 1 FT #SUB 129 128 LEU W 124 123 GLY Q Protein S 1 FT #SUB 129 128 LEU W 126 125 ILE Q Protein S 2 FT #SUB 129 128 LEU W 140 139 TYR Q Protein A 6 FT #SUB 132 131 GLN W 139 138 ARG Q Protein S 4 FT #SUB 132 131 GLN W 140 139 TYR Q Protein S 6 FT #SUB 132 131 GLN W 143 142 GLU Q Protein S 2 FT #SUB 132 131 GLN W 144 143 HIS Q Protein S 1 FT #SUB 136 135 LEU W 136 135 LEU Q Protein A 5 FT #SUB 136 135 LEU W 139 138 ARG Q Protein S 1 FT #SUB 139 138 ARG W 132 131 GLN Q Protein B 2 FT #SUB 139 138 ARG W 136 135 LEU Q Protein S 2 FT #SUB 139 138 ARG W 139 138 ARG Q Protein S 13 FT #SUB 140 139 TYR W 129 128 LEU Q Protein S 7 FT #SUB 140 139 TYR W 132 131 GLN Q Protein A 3 FT #SUB 143 142 GLU W 132 131 GLN Q Protein S 2 FT #SUB 57 56 ALA W 54 53 ASP X Protein S 1 FT #SUB 57 56 ALA W 55 54 SER X Protein S 2 FT #SUB 60 59 LEU W 12 11 PRO X Protein S 1 FT #SUB 60 59 LEU W 13 12 ASN X Protein S 1 FT #SUB 60 59 LEU W 54 53 ASP X Protein S 1 FT #SUB 64 63 HIS W 13 12 ASN X Protein S 4 FT #SUB 64 63 HIS W 16 15 ARG X Protein A 12 FT #SUB 64 63 HIS W 54 53 ASP X Protein S 2 FT #SUB 67 66 ALA W 16 15 ARG X Protein S 1 FT #SUB 68 67 ASP W 16 15 ARG X Protein S 6 FT #SUB 68 67 ASP W 19 18 ARG X Protein S 1 FT #SUB 83 82 THR W 83 82 THR X Protein B 2 FT #SUB 85 84 VAL W 79 78 GLY X Protein S 3 FT #SUB 85 84 VAL W 82 81 HIS X Protein S 1 FT #SUB 85 84 VAL W 83 82 THR X Protein S 1 FT #SUB 85 84 VAL W 112 111 PHE X Protein S 1 FT #SUB 85 84 VAL W 113 112 ARG X Protein S 1 FT #SUB 86 85 ALA W 12 11 PRO X Protein S 1 FT #SUB 86 85 ALA W 13 12 ASN X Protein B 2 FT #SUB 88 87 ARG W 110 109 GLU X Protein S 1 FT #SUB 88 87 ARG W 112 111 PHE X Protein S 7 FT #SUB 89 88 ASP W 13 12 ASN X Protein S 1 FT #SUB 89 88 ASP W 113 112 ARG X Protein S 8 FT #SUB 90 89 ALA W 13 12 ASN X Protein A 2 FT #SUB 93 92 GLU W 16 15 ARG X Protein S 5 FT #SUB 117 116 TYR W 112 111 PHE X Protein S 2 FT #HET 25 24 TYR W 35 147 FA1 W S 7 FT #HET 76 75 ASN W 35 147 FA1 W S 9 FT #HET 78 77 GLY W 35 147 FA1 W B 6 FT #HET 79 78 GLY W 35 147 FA1 W B 2 FT #HET 82 81 HIS W 35 147 FA1 W S 4 FT #HET 89 88 ASP W 37 148 FA1 X S 3 FT #HET 93 92 GLU W 36 147 GOL X S 1 FT #HET 102 101 HIS W 35 147 FA1 W A 11 FT #HET 103 102 ILE W 35 147 FA1 W A 9 FT #HET 104 103 SER W 35 147 FA1 W A 8 FT #HET 106 105 VAL W 35 147 FA1 W S 1 FT #HET 113 112 ARG W 35 147 FA1 W S 6 FT DISORDER 1 3 FT DISORDER 145 147 CC SEQUENCE 141 AA (ATOM); CC LIVNVINGPN LGRLGRREPA VYGGTTHDEL VALIEREAAE LGLKAVVRQS DSEAQLLDWI CC HQAADAAEPV ILNAGGLTHT SVALRDACAE LSAPLIEVHI SNVHAREEFR RHSYLSPIAT CC GVIVGLGIQG YLLALRYLAE H CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC *********************************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT // ID 3N7AX STANDARD; PRT; 147 AA. DT CONVERTED FROM PDB (SEQRES) 3N7A DE 3-dehydroquinate dehydratase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.000 CC R-Factor 0.181 FT #SUB 39 38 ARG X 4 3 LEU K Protein S 1 FT #SUB 57 56 ALA X 54 53 ASP M Protein A 3 FT #SUB 57 56 ALA X 55 54 SER M Protein S 1 FT #SUB 60 59 LEU X 12 11 PRO M Protein S 1 FT #SUB 60 59 LEU X 54 53 ASP M Protein S 1 FT #SUB 64 63 HIS X 13 12 ASN M Protein S 4 FT #SUB 64 63 HIS X 16 15 ARG M Protein A 11 FT #SUB 64 63 HIS X 54 53 ASP M Protein S 2 FT #SUB 67 66 ALA X 16 15 ARG M Protein S 1 FT #SUB 67 66 ALA X 20 19 ARG M Protein B 2 FT #SUB 68 67 ASP X 16 15 ARG M Protein S 8 FT #SUB 68 67 ASP X 19 18 ARG M Protein S 1 FT #SUB 68 67 ASP X 20 19 ARG M Protein A 6 FT #SUB 83 82 THR X 83 82 THR M Protein B 2 FT #SUB 85 84 VAL X 79 78 GLY M Protein S 3 FT #SUB 85 84 VAL X 82 81 HIS M Protein S 1 FT #SUB 85 84 VAL X 83 82 THR M Protein S 1 FT #SUB 85 84 VAL X 112 111 PHE M Protein S 3 FT #SUB 85 84 VAL X 113 112 ARG M Protein S 1 FT #SUB 86 85 ALA X 12 11 PRO M Protein S 1 FT #SUB 86 85 ALA X 13 12 ASN M Protein B 4 FT #SUB 88 87 ARG X 110 109 GLU M Protein S 1 FT #SUB 88 87 ARG X 112 111 PHE M Protein S 8 FT #SUB 89 88 ASP X 13 12 ASN M Protein S 1 FT #SUB 89 88 ASP X 113 112 ARG M Protein S 8 FT #SUB 90 89 ALA X 13 12 ASN M Protein A 2 FT #SUB 93 92 GLU X 16 15 ARG M Protein S 5 FT #SUB 93 92 GLU X 20 19 ARG M Protein S 4 FT #SUB 117 116 TYR X 112 111 PHE M Protein S 1 FT #SUB 99 98 ILE X 129 128 LEU V Protein S 1 FT #SUB 105 104 ASN X 119 118 SER V Protein S 3 FT #SUB 105 104 ASN X 122 121 ALA V Protein S 2 FT #SUB 105 104 ASN X 123 122 THR V Protein S 3 FT #SUB 107 106 HIS X 119 118 SER V Protein S 4 FT #SUB 107 106 HIS X 120 119 PRO V Protein A 6 FT #SUB 108 107 ALA X 120 119 PRO V Protein S 1 FT #SUB 114 113 ARG X 116 115 SER V Protein S 1 FT #SUB 114 113 ARG X 119 118 SER V Protein S 1 FT #SUB 114 113 ARG X 120 119 PRO V Protein S 4 FT #SUB 116 115 SER X 114 113 ARG V Protein B 1 FT #SUB 119 118 SER X 105 104 ASN V Protein B 2 FT #SUB 119 118 SER X 107 106 HIS V Protein A 4 FT #SUB 120 119 PRO X 107 106 HIS V Protein A 4 FT #SUB 120 119 PRO X 108 107 ALA V Protein B 1 FT #SUB 120 119 PRO X 114 113 ARG V Protein S 2 FT #SUB 122 121 ALA X 105 104 ASN V Protein B 2 FT #SUB 123 122 THR X 105 104 ASN V Protein B 2 FT #SUB 123 122 THR X 128 127 GLY V Protein B 3 FT #SUB 124 123 GLY X 127 126 VAL V Protein B 2 FT #SUB 124 123 GLY X 129 128 LEU V Protein B 1 FT #SUB 125 124 VAL X 125 124 VAL V Protein B 1 FT #SUB 125 124 VAL X 126 125 ILE V Protein B 2 FT #SUB 125 124 VAL X 127 126 VAL V Protein B 3 FT #SUB 126 125 ILE X 125 124 VAL V Protein B 2 FT #SUB 126 125 ILE X 129 128 LEU V Protein S 2 FT #SUB 127 126 VAL X 124 123 GLY V Protein B 2 FT #SUB 127 126 VAL X 125 124 VAL V Protein B 4 FT #SUB 128 127 GLY X 123 122 THR V Protein B 3 FT #SUB 129 128 LEU X 124 123 GLY V Protein S 1 FT #SUB 129 128 LEU X 126 125 ILE V Protein S 2 FT #SUB 129 128 LEU X 140 139 TYR V Protein A 12 FT #SUB 132 131 GLN X 139 138 ARG V Protein S 3 FT #SUB 132 131 GLN X 140 139 TYR V Protein S 8 FT #SUB 132 131 GLN X 143 142 GLU V Protein S 3 FT #SUB 136 135 LEU X 136 135 LEU V Protein A 6 FT #SUB 139 138 ARG X 132 131 GLN V Protein A 3 FT #SUB 139 138 ARG X 136 135 LEU V Protein S 1 FT #SUB 139 138 ARG X 139 138 ARG V Protein S 16 FT #SUB 140 139 TYR X 129 128 LEU V Protein S 10 FT #SUB 140 139 TYR X 132 131 GLN V Protein A 7 FT #SUB 144 143 HIS X 132 131 GLN V Protein B 1 FT #SUB 12 11 PRO X 60 59 LEU W Protein S 1 FT #SUB 12 11 PRO X 86 85 ALA W Protein S 1 FT #SUB 13 12 ASN X 60 59 LEU W Protein S 1 FT #SUB 13 12 ASN X 64 63 HIS W Protein S 4 FT #SUB 13 12 ASN X 86 85 ALA W Protein S 2 FT #SUB 13 12 ASN X 89 88 ASP W Protein S 1 FT #SUB 13 12 ASN X 90 89 ALA W Protein S 2 FT #SUB 16 15 ARG X 64 63 HIS W Protein S 12 FT #SUB 16 15 ARG X 67 66 ALA W Protein S 1 FT #SUB 16 15 ARG X 68 67 ASP W Protein S 6 FT #SUB 16 15 ARG X 93 92 GLU W Protein S 5 FT #SUB 19 18 ARG X 68 67 ASP W Protein S 1 FT #SUB 54 53 ASP X 57 56 ALA W Protein B 1 FT #SUB 54 53 ASP X 60 59 LEU W Protein B 1 FT #SUB 54 53 ASP X 64 63 HIS W Protein S 2 FT #SUB 55 54 SER X 57 56 ALA W Protein A 2 FT #SUB 79 78 GLY X 85 84 VAL W Protein B 3 FT #SUB 82 81 HIS X 85 84 VAL W Protein S 1 FT #SUB 83 82 THR X 83 82 THR W Protein S 2 FT #SUB 83 82 THR X 85 84 VAL W Protein S 1 FT #SUB 110 109 GLU X 88 87 ARG W Protein S 1 FT #SUB 112 111 PHE X 85 84 VAL W Protein S 1 FT #SUB 112 111 PHE X 88 87 ARG W Protein S 7 FT #SUB 112 111 PHE X 117 116 TYR W Protein S 2 FT #SUB 113 112 ARG X 85 84 VAL W Protein S 1 FT #SUB 113 112 ARG X 89 88 ASP W Protein S 8 FT #HET 13 12 ASN X 36 147 GOL X A 6 FT #HET 14 13 LEU X 36 147 GOL X B 1 FT #HET 16 15 ARG X 36 147 GOL X A 7 FT #HET 17 16 LEU X 36 147 GOL X B 2 FT #HET 20 19 ARG X 36 147 GOL X B 2 FT #HET 25 24 TYR X 36 147 GOL X S 8 FT #HET 25 24 TYR X 37 148 FA1 X S 8 FT #HET 76 75 ASN X 37 148 FA1 X S 9 FT #HET 78 77 GLY X 37 148 FA1 X B 7 FT #HET 79 78 GLY X 37 148 FA1 X B 2 FT #HET 82 81 HIS X 37 148 FA1 X S 4 FT #HET 89 88 ASP X 19 147 FA1 M S 3 FT #HET 102 101 HIS X 37 148 FA1 X A 11 FT #HET 103 102 ILE X 37 148 FA1 X A 6 FT #HET 104 103 SER X 37 148 FA1 X A 6 FT #HET 106 105 VAL X 37 148 FA1 X S 2 FT #HET 113 112 ARG X 37 148 FA1 X S 6 FT DISORDER 1 3 FT DISORDER 21 24 FT DISORDER 145 147 CC SEQUENCE 137 AA (ATOM); CC LIVNVINGPN LGRLGRRYGG TTHDELVALI EREAAELGLK AVVRQSDSEA QLLDWIHQAA CC DAAEPVILNA GGLTHTSVAL RDACAELSAP LIEVHISNVH AREEFRRHSY LSPIATGVIV CC GLGIQGYLLA LRYLAEH CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MSELIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVV CC ATOM ---LIVNVINGPNLGRLGRR----YGGTTHDELVALIEREAAELGLKAVV CC ***************** ************************** CC SEQRES RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ATOM RQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIE CC ************************************************** CC SEQRES VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEHVGT CC ATOM VHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH--- CC ******************************************** SQ SEQUENCE 147 AA; MW; CN; MSELIVNVIN GPNLGRLGRR EPAVYGGTTH DELVALIERE AAELGLKAVV RQSDSEAQLL DWIHQAADAA EPVILNAGGL THTSVALRDA CAELSAPLIE VHISNVHARE EFRRHSYLSP IATGVIVGLG IQGYLLALRY LAEHVGT //