ID 1SMCA STANDARD; PRT; 174 AA. DT CONVERTED FROM PDB (SEQRES) 1SMC DE Deoxyuridine 5'-triphosphate nucleotidohydrolase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.170 FT #SUB 23 3 THR A 140 120 GLU B Protein S 3 FT #SUB 23 3 THR A 142 122 VAL B Protein A 5 FT #SUB 23 3 THR A 143 123 GLU B Protein B 2 FT #SUB 24 4 THR A 143 123 GLU B Protein A 4 FT #SUB 25 5 LEU A 143 123 GLU B Protein B 3 FT #SUB 25 5 LEU A 144 124 LEU B Protein B 2 FT #SUB 25 5 LEU A 145 125 VAL B Protein B 4 FT #SUB 26 6 ALA A 145 125 VAL B Protein B 2 FT #SUB 26 6 ALA A 155 135 LEU B Protein S 1 FT #SUB 27 7 ILE A 144 124 LEU B Protein S 1 FT #SUB 27 7 ILE A 145 125 VAL B Protein A 5 FT #SUB 27 7 ILE A 146 126 GLU B Protein A 6 FT #SUB 27 7 ILE A 147 127 VAL B Protein B 4 FT #SUB 28 8 VAL A 147 127 VAL B Protein A 3 FT #SUB 28 8 VAL A 148 128 SER B Protein S 1 FT #SUB 28 8 VAL A 150 130 PHE B Protein S 3 FT #SUB 29 9 ARG A 146 126 GLU B Protein S 10 FT #SUB 37 17 PRO A 144 124 LEU B Protein A 2 FT #SUB 39 19 ARG A 141 121 LEU B Protein S 2 FT #SUB 39 19 ARG A 142 122 VAL B Protein S 8 FT #SUB 43 23 GLY A 75 55 PHE B Protein B 3 FT #SUB 43 23 GLY A 104 84 ALA B Protein B 2 FT #SUB 44 24 ASP A 103 83 ASP B Protein A 5 FT #SUB 44 24 ASP A 141 121 LEU B Protein B 1 FT #SUB 45 25 ALA A 78 58 VAL B Protein S 2 FT #SUB 45 25 ALA A 101 81 THR B Protein S 1 FT #SUB 45 25 ALA A 103 83 ASP B Protein A 3 FT #SUB 45 25 ALA A 139 119 VAL B Protein B 1 FT #SUB 70 50 ALA A 150 130 PHE B Protein A 4 FT #SUB 71 51 VAL A 150 130 PHE B Protein B 5 FT #SUB 72 52 ALA A 150 130 PHE B Protein S 1 FT #SUB 77 57 MET A 140 120 GLU B Protein S 2 FT #SUB 82 62 HIS A 80 60 LEU B Protein S 1 FT #SUB 82 62 HIS A 99 79 PRO B Protein S 5 FT #SUB 82 62 HIS A 101 81 THR B Protein S 4 FT #SUB 83 63 PRO A 97 77 ASN B Protein S 5 FT #SUB 83 63 PRO A 98 78 SER B Protein S 2 FT #SUB 85 65 SER A 97 77 ASN B Protein A 2 FT #SUB 88 68 ALA A 62 42 ARG B Protein B 2 FT #SUB 88 68 ALA A 96 76 VAL B Protein A 2 FT #SUB 88 68 ALA A 97 77 ASN B Protein S 1 FT #SUB 89 69 THR A 62 42 ARG B Protein B 4 FT #SUB 89 69 THR A 64 44 LEU B Protein S 2 FT #SUB 89 69 THR A 113 93 ALA B Protein S 1 FT #SUB 90 70 ARG A 62 42 ARG B Protein B 2 FT #SUB 91 71 VAL A 62 42 ARG B Protein B 4 FT #SUB 92 72 GLY A 62 42 ARG B Protein B 7 FT #SUB 93 73 LEU A 96 76 VAL B Protein B 1 FT #SUB 94 74 SER A 96 76 VAL B Protein S 3 FT #SUB 98 78 SER A 98 78 SER B Protein S 3 FT #SUB 98 78 SER A 99 79 PRO B Protein S 1 FT #SUB 103 83 ASP A 160 140 ARG B Protein S 3 FT #SUB 105 85 GLY A 160 140 ARG B Protein B 5 FT #SUB 106 86 TYR A 160 140 ARG B Protein B 2 FT #SUB 107 87 ARG A 150 130 PHE B Protein A 6 FT #SUB 107 87 ARG A 155 135 LEU B Protein S 5 FT #SUB 117 97 LEU A 60 40 GLY B Protein B 1 FT #SUB 117 97 LEU A 115 95 ILE B Protein S 2 FT #SUB 118 98 ASP A 62 42 ARG B Protein A 6 FT #SUB 119 99 PRO A 60 40 GLY B Protein S 2 FT #SUB 119 99 PRO A 61 41 ARG B Protein S 2 FT #SUB 133 113 GLN A 101 81 THR B Protein S 2 FT #SUB 136 116 VAL A 139 119 VAL B Protein B 3 FT #SUB 136 116 VAL A 140 120 GLU B Protein B 5 FT #SUB 136 116 VAL A 142 122 VAL B Protein S 2 FT #SUB 137 117 GLN A 78 58 VAL B Protein S 1 FT #SUB 137 117 GLN A 137 117 GLN B Protein S 5 FT #SUB 137 117 GLN A 138 118 ARG B Protein S 3 FT #SUB 138 118 ARG A 140 120 GLU B Protein S 5 FT #SUB 60 40 GLY A 117 97 LEU C Protein B 1 FT #SUB 60 40 GLY A 119 99 PRO C Protein B 1 FT #SUB 61 41 ARG A 119 99 PRO C Protein S 3 FT #SUB 62 42 ARG A 88 68 ALA C Protein S 2 FT #SUB 62 42 ARG A 89 69 THR C Protein S 5 FT #SUB 62 42 ARG A 90 70 ARG C Protein S 2 FT #SUB 62 42 ARG A 91 71 VAL C Protein S 4 FT #SUB 62 42 ARG A 92 72 GLY C Protein S 7 FT #SUB 62 42 ARG A 118 98 ASP C Protein S 6 FT #SUB 64 44 LEU A 89 69 THR C Protein S 3 FT #SUB 75 55 PHE A 43 23 GLY C Protein S 3 FT #SUB 78 58 VAL A 45 25 ALA C Protein S 2 FT #SUB 80 60 LEU A 82 62 HIS C Protein S 1 FT #SUB 96 76 VAL A 88 68 ALA C Protein S 4 FT #SUB 96 76 VAL A 93 73 LEU C Protein S 1 FT #SUB 96 76 VAL A 94 74 SER C Protein B 3 FT #SUB 97 77 ASN A 83 63 PRO C Protein B 5 FT #SUB 97 77 ASN A 85 65 SER C Protein S 2 FT #SUB 97 77 ASN A 88 68 ALA C Protein S 1 FT #SUB 98 78 SER A 83 63 PRO C Protein B 2 FT #SUB 98 78 SER A 98 78 SER C Protein B 3 FT #SUB 99 79 PRO A 82 62 HIS C Protein A 5 FT #SUB 99 79 PRO A 98 78 SER C Protein A 2 FT #SUB 101 81 THR A 82 62 HIS C Protein S 4 FT #SUB 101 81 THR A 133 113 GLN C Protein S 3 FT #SUB 103 83 ASP A 44 24 ASP C Protein S 9 FT #SUB 103 83 ASP A 45 25 ALA C Protein S 2 FT #SUB 104 84 ALA A 43 23 GLY C Protein A 2 FT #SUB 113 93 ALA A 89 69 THR C Protein S 1 FT #SUB 115 95 ILE A 117 97 LEU C Protein S 1 FT #SUB 137 117 GLN A 137 117 GLN C Protein S 5 FT #SUB 138 118 ARG A 137 117 GLN C Protein B 3 FT #SUB 139 119 VAL A 45 25 ALA C Protein S 1 FT #SUB 139 119 VAL A 136 116 VAL C Protein A 2 FT #SUB 140 120 GLU A 23 3 THR C Protein S 2 FT #SUB 140 120 GLU A 77 57 MET C Protein S 2 FT #SUB 140 120 GLU A 136 116 VAL C Protein A 5 FT #SUB 140 120 GLU A 138 118 ARG C Protein S 4 FT #SUB 141 121 LEU A 39 19 ARG C Protein B 1 FT #SUB 141 121 LEU A 43 23 GLY C Protein S 1 FT #SUB 141 121 LEU A 44 24 ASP C Protein S 1 FT #SUB 142 122 VAL A 23 3 THR C Protein A 4 FT #SUB 142 122 VAL A 25 5 LEU C Protein S 2 FT #SUB 142 122 VAL A 39 19 ARG C Protein A 7 FT #SUB 142 122 VAL A 136 116 VAL C Protein S 2 FT #SUB 143 123 GLU A 23 3 THR C Protein B 2 FT #SUB 143 123 GLU A 24 4 THR C Protein B 3 FT #SUB 143 123 GLU A 25 5 LEU C Protein B 2 FT #SUB 144 124 LEU A 25 5 LEU C Protein B 2 FT #SUB 144 124 LEU A 37 17 PRO C Protein S 3 FT #SUB 145 125 VAL A 25 5 LEU C Protein B 4 FT #SUB 145 125 VAL A 26 6 ALA C Protein B 2 FT #SUB 145 125 VAL A 27 7 ILE C Protein B 4 FT #SUB 146 126 GLU A 27 7 ILE C Protein A 5 FT #SUB 146 126 GLU A 29 9 ARG C Protein S 10 FT #SUB 147 127 VAL A 27 7 ILE C Protein A 4 FT #SUB 147 127 VAL A 28 8 VAL C Protein A 3 FT #SUB 150 130 PHE A 28 8 VAL C Protein S 2 FT #SUB 150 130 PHE A 70 50 ALA C Protein S 3 FT #SUB 150 130 PHE A 71 51 VAL C Protein S 4 FT #SUB 150 130 PHE A 72 52 ALA C Protein S 2 FT #SUB 150 130 PHE A 107 87 ARG C Protein S 4 FT #HET 60 40 GLY A 3 155 TRS B B 1 FT #HET 80 60 LEU A 2 2171 TRS A S 5 FT #HET 82 62 HIS A 2 2171 TRS A S 5 FT #HET 83 63 PRO A 1 2170 DUT A B 1 FT #HET 84 64 ARG A 1 2170 DUT A A 8 FT #HET 85 65 SER A 1 2170 DUT A A 23 FT #HET 86 66 GLY A 1 2170 DUT A B 4 FT #HET 94 74 SER A 7 3171 TRS C S 3 FT #HET 95 75 ILE A 7 3171 TRS C B 4 FT #HET 96 76 VAL A 7 3171 TRS C B 2 FT #HET 97 77 ASN A 5 1170 DUT C S 4 FT #HET 99 79 PRO A 2 2171 TRS A S 3 FT #HET 100 80 GLY A 5 1170 DUT C B 1 FT #HET 101 81 THR A 5 1170 DUT C B 7 FT #HET 102 82 ILE A 5 1170 DUT C S 5 FT #HET 103 83 ASP A 5 1170 DUT C A 7 FT #HET 106 86 TYR A 5 1170 DUT C S 12 FT #HET 109 89 GLU A 5 1170 DUT C B 1 FT #HET 110 90 ILE A 5 1170 DUT C B 2 FT #HET 111 91 LYS A 5 1170 DUT C B 10 FT #HET 116 96 ASN A 3 155 TRS B B 1 FT #HET 117 97 LEU A 3 155 TRS B A 3 FT #HET 133 113 GLN A 1 2170 DUT A S 3 FT #HET 137 117 GLN A 2 2171 TRS A S 5 FT #HET 150 130 PHE A 4 155 NO3 C S 3 FT #HET 151 131 ASP A 4 155 NO3 C A 3 FT DISORDER 1 21 FT DISORDER 153 174 CC Miss-BB 1 CC Miss-SC 1 CC SEQUENCE 131 AA (ATOM); CC STTLAIVRLD PGLPLPSRAH DGDAGVDLYS AEDVELAPGR RALVRTGVAV AVPFGMVGLV CC HPRSGLATRV GLSIVNSPGT IDAGYRGEIK VALINLDPAA PIVVHRGDRI AQLLVQRVEL CC VELVEVSSFD E CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSSHHHHHHSSGLVPRGSHMSTTLAIVRLDPGLPLPSRAHDGDAGVDLY CC ATOM ---------------------STTLAIVRLDPGLPLPSRAHDGDAGVDLY CC ***************************** CC SEQRES SAEDVELAPGRRALVRTGVAVAVPFGMVGLVHPRSGLATRVGLSIVNSPG CC ATOM SAEDVELAPGRRALVRTGVAVAVPFGMVGLVHPRSGLATRVGLSIVNSPG CC ************************************************** CC SEQRES TIDAGYRGEIKVALINLDPAAPIVVHRGDRIAQLLVQRVELVELVEVSSF CC ATOM TIDAGYRGEIKVALINLDPAAPIVVHRGDRIAQLLVQRVELVELVEVSSF CC ************************************************** CC SEQRES DEAGLASTSRGDGGHGSSGGHASL CC ATOM DE---------------------- CC ** SQ SEQUENCE 174 AA; MW; CN; MGSSHHHHHH SSGLVPRGSH MSTTLAIVRL DPGLPLPSRA HDGDAGVDLY SAEDVELAPG RRALVRTGVA VAVPFGMVGL VHPRSGLATR VGLSIVNSPG TIDAGYRGEI KVALINLDPA APIVVHRGDR IAQLLVQRVE LVELVEVSSF DEAGLASTSR GDGGHGSSGG HASL // ID 1SMCB STANDARD; PRT; 174 AA. DT CONVERTED FROM PDB (SEQRES) 1SMC DE Deoxyuridine 5'-triphosphate nucleotidohydrolase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.170 FT #SUB 60 40 GLY B 117 97 LEU A Protein B 1 FT #SUB 60 40 GLY B 119 99 PRO A Protein B 2 FT #SUB 61 41 ARG B 119 99 PRO A Protein S 2 FT #SUB 62 42 ARG B 88 68 ALA A Protein S 2 FT #SUB 62 42 ARG B 89 69 THR A Protein S 4 FT #SUB 62 42 ARG B 90 70 ARG A Protein S 2 FT #SUB 62 42 ARG B 91 71 VAL A Protein S 4 FT #SUB 62 42 ARG B 92 72 GLY A Protein S 7 FT #SUB 62 42 ARG B 118 98 ASP A Protein S 6 FT #SUB 64 44 LEU B 89 69 THR A Protein S 2 FT #SUB 75 55 PHE B 43 23 GLY A Protein S 3 FT #SUB 78 58 VAL B 45 25 ALA A Protein S 2 FT #SUB 78 58 VAL B 137 117 GLN A Protein S 1 FT #SUB 80 60 LEU B 82 62 HIS A Protein S 1 FT #SUB 96 76 VAL B 88 68 ALA A Protein S 2 FT #SUB 96 76 VAL B 93 73 LEU A Protein S 1 FT #SUB 96 76 VAL B 94 74 SER A Protein B 3 FT #SUB 97 77 ASN B 83 63 PRO A Protein B 5 FT #SUB 97 77 ASN B 85 65 SER A Protein S 2 FT #SUB 97 77 ASN B 88 68 ALA A Protein S 1 FT #SUB 98 78 SER B 83 63 PRO A Protein B 2 FT #SUB 98 78 SER B 98 78 SER A Protein B 3 FT #SUB 99 79 PRO B 82 62 HIS A Protein A 5 FT #SUB 99 79 PRO B 98 78 SER A Protein S 1 FT #SUB 101 81 THR B 45 25 ALA A Protein S 1 FT #SUB 101 81 THR B 82 62 HIS A Protein S 4 FT #SUB 101 81 THR B 133 113 GLN A Protein S 2 FT #SUB 103 83 ASP B 44 24 ASP A Protein S 5 FT #SUB 103 83 ASP B 45 25 ALA A Protein S 3 FT #SUB 104 84 ALA B 43 23 GLY A Protein A 2 FT #SUB 113 93 ALA B 89 69 THR A Protein S 1 FT #SUB 115 95 ILE B 117 97 LEU A Protein S 2 FT #SUB 137 117 GLN B 137 117 GLN A Protein S 5 FT #SUB 138 118 ARG B 137 117 GLN A Protein B 3 FT #SUB 139 119 VAL B 45 25 ALA A Protein S 1 FT #SUB 139 119 VAL B 136 116 VAL A Protein A 3 FT #SUB 140 120 GLU B 23 3 THR A Protein S 3 FT #SUB 140 120 GLU B 77 57 MET A Protein S 2 FT #SUB 140 120 GLU B 136 116 VAL A Protein A 5 FT #SUB 140 120 GLU B 138 118 ARG A Protein S 5 FT #SUB 141 121 LEU B 39 19 ARG A Protein B 2 FT #SUB 141 121 LEU B 44 24 ASP A Protein S 1 FT #SUB 142 122 VAL B 23 3 THR A Protein A 5 FT #SUB 142 122 VAL B 39 19 ARG A Protein A 8 FT #SUB 142 122 VAL B 136 116 VAL A Protein S 2 FT #SUB 143 123 GLU B 23 3 THR A Protein B 2 FT #SUB 143 123 GLU B 24 4 THR A Protein B 4 FT #SUB 143 123 GLU B 25 5 LEU A Protein B 3 FT #SUB 144 124 LEU B 25 5 LEU A Protein B 2 FT #SUB 144 124 LEU B 27 7 ILE A Protein S 1 FT #SUB 144 124 LEU B 37 17 PRO A Protein S 2 FT #SUB 145 125 VAL B 25 5 LEU A Protein B 4 FT #SUB 145 125 VAL B 26 6 ALA A Protein B 2 FT #SUB 145 125 VAL B 27 7 ILE A Protein B 5 FT #SUB 146 126 GLU B 27 7 ILE A Protein A 6 FT #SUB 146 126 GLU B 29 9 ARG A Protein S 10 FT #SUB 147 127 VAL B 27 7 ILE A Protein A 4 FT #SUB 147 127 VAL B 28 8 VAL A Protein A 3 FT #SUB 148 128 SER B 28 8 VAL A Protein B 1 FT #SUB 150 130 PHE B 28 8 VAL A Protein A 3 FT #SUB 150 130 PHE B 70 50 ALA A Protein S 4 FT #SUB 150 130 PHE B 71 51 VAL A Protein S 5 FT #SUB 150 130 PHE B 72 52 ALA A Protein S 1 FT #SUB 150 130 PHE B 107 87 ARG A Protein S 6 FT #SUB 155 135 LEU B 26 6 ALA A Protein S 1 FT #SUB 155 135 LEU B 107 87 ARG A Protein B 5 FT #SUB 160 140 ARG B 103 83 ASP A Protein S 3 FT #SUB 160 140 ARG B 105 85 GLY A Protein S 5 FT #SUB 160 140 ARG B 106 86 TYR A Protein S 2 FT #SUB 20 0 HIS B 76 56 GLY C Protein B 1 FT #SUB 22 2 SER B 140 120 GLU C Protein A 7 FT #SUB 22 2 SER B 141 121 LEU C Protein S 5 FT #SUB 22 2 SER B 142 122 VAL C Protein S 3 FT #SUB 23 3 THR B 142 122 VAL C Protein B 4 FT #SUB 23 3 THR B 143 123 GLU C Protein B 2 FT #SUB 24 4 THR B 143 123 GLU C Protein A 4 FT #SUB 24 4 THR B 145 125 VAL C Protein S 2 FT #SUB 25 5 LEU B 142 122 VAL C Protein S 1 FT #SUB 25 5 LEU B 143 123 GLU C Protein B 3 FT #SUB 25 5 LEU B 144 124 LEU C Protein B 2 FT #SUB 25 5 LEU B 145 125 VAL C Protein B 2 FT #SUB 26 6 ALA B 145 125 VAL C Protein B 2 FT #SUB 26 6 ALA B 147 127 VAL C Protein S 1 FT #SUB 26 6 ALA B 150 130 PHE C Protein A 3 FT #SUB 27 7 ILE B 145 125 VAL C Protein A 5 FT #SUB 27 7 ILE B 146 126 GLU C Protein A 5 FT #SUB 27 7 ILE B 147 127 VAL C Protein B 5 FT #SUB 28 8 VAL B 147 127 VAL C Protein A 3 FT #SUB 28 8 VAL B 148 128 SER C Protein S 1 FT #SUB 28 8 VAL B 149 129 SER C Protein S 1 FT #SUB 28 8 VAL B 150 130 PHE C Protein S 3 FT #SUB 29 9 ARG B 146 126 GLU C Protein S 10 FT #SUB 37 17 PRO B 144 124 LEU C Protein A 3 FT #SUB 39 19 ARG B 141 121 LEU C Protein S 1 FT #SUB 39 19 ARG B 142 122 VAL C Protein S 6 FT #SUB 43 23 GLY B 75 55 PHE C Protein B 2 FT #SUB 43 23 GLY B 104 84 ALA C Protein B 1 FT #SUB 43 23 GLY B 141 121 LEU C Protein B 2 FT #SUB 44 24 ASP B 103 83 ASP C Protein A 5 FT #SUB 44 24 ASP B 141 121 LEU C Protein B 1 FT #SUB 45 25 ALA B 78 58 VAL C Protein S 2 FT #SUB 45 25 ALA B 101 81 THR C Protein S 1 FT #SUB 45 25 ALA B 103 83 ASP C Protein A 3 FT #SUB 45 25 ALA B 139 119 VAL C Protein B 1 FT #SUB 70 50 ALA B 150 130 PHE C Protein A 3 FT #SUB 71 51 VAL B 150 130 PHE C Protein B 6 FT #SUB 72 52 ALA B 150 130 PHE C Protein A 3 FT #SUB 77 57 MET B 140 120 GLU C Protein S 4 FT #SUB 82 62 HIS B 80 60 LEU C Protein S 1 FT #SUB 82 62 HIS B 99 79 PRO C Protein S 5 FT #SUB 82 62 HIS B 101 81 THR C Protein S 3 FT #SUB 83 63 PRO B 97 77 ASN C Protein S 5 FT #SUB 83 63 PRO B 98 78 SER C Protein S 2 FT #SUB 85 65 SER B 97 77 ASN C Protein A 2 FT #SUB 88 68 ALA B 62 42 ARG C Protein B 2 FT #SUB 88 68 ALA B 96 76 VAL C Protein A 3 FT #SUB 88 68 ALA B 97 77 ASN C Protein S 1 FT #SUB 89 69 THR B 62 42 ARG C Protein B 3 FT #SUB 89 69 THR B 64 44 LEU C Protein S 1 FT #SUB 90 70 ARG B 62 42 ARG C Protein B 2 FT #SUB 91 71 VAL B 62 42 ARG C Protein B 5 FT #SUB 92 72 GLY B 62 42 ARG C Protein B 6 FT #SUB 93 73 LEU B 96 76 VAL C Protein B 1 FT #SUB 94 74 SER B 96 76 VAL C Protein S 3 FT #SUB 98 78 SER B 98 78 SER C Protein S 3 FT #SUB 98 78 SER B 99 79 PRO C Protein S 2 FT #SUB 99 79 PRO B 99 79 PRO C Protein S 1 FT #SUB 107 87 ARG B 150 130 PHE C Protein S 3 FT #SUB 117 97 LEU B 60 40 GLY C Protein B 1 FT #SUB 117 97 LEU B 115 95 ILE C Protein A 2 FT #SUB 118 98 ASP B 62 42 ARG C Protein S 5 FT #SUB 119 99 PRO B 61 41 ARG C Protein S 2 FT #SUB 133 113 GLN B 101 81 THR C Protein S 2 FT #SUB 136 116 VAL B 139 119 VAL C Protein B 2 FT #SUB 136 116 VAL B 140 120 GLU C Protein B 5 FT #SUB 137 117 GLN B 78 58 VAL C Protein S 1 FT #SUB 137 117 GLN B 137 117 GLN C Protein S 5 FT #SUB 137 117 GLN B 138 118 ARG C Protein S 3 FT #SUB 138 118 ARG B 140 120 GLU C Protein S 5 FT #SUB 160 140 ARG B 41 21 HIS C Protein S 7 FT #SUB 160 140 ARG B 44 24 ASP C Protein S 4 FT #HET 48 28 ASP B 6 3170 DUT C S 1 FT #HET 80 60 LEU B 2 2171 TRS A S 5 FT #HET 82 62 HIS B 2 2171 TRS A S 5 FT #HET 83 63 PRO B 6 3170 DUT C B 1 FT #HET 84 64 ARG B 6 3170 DUT C A 24 FT #HET 85 65 SER B 6 3170 DUT C A 20 FT #HET 86 66 GLY B 6 3170 DUT C B 6 FT #HET 94 74 SER B 7 3171 TRS C S 4 FT #HET 95 75 ILE B 7 3171 TRS C B 3 FT #HET 96 76 VAL B 7 3171 TRS C B 2 FT #HET 97 77 ASN B 1 2170 DUT A S 5 FT #HET 99 79 PRO B 2 2171 TRS A S 1 FT #HET 100 80 GLY B 1 2170 DUT A B 2 FT #HET 101 81 THR B 1 2170 DUT A B 7 FT #HET 102 82 ILE B 1 2170 DUT A A 8 FT #HET 103 83 ASP B 1 2170 DUT A A 6 FT #HET 106 86 TYR B 1 2170 DUT A S 7 FT #HET 109 89 GLU B 1 2170 DUT A B 1 FT #HET 110 90 ILE B 1 2170 DUT A B 2 FT #HET 111 91 LYS B 1 2170 DUT A B 8 FT #HET 116 96 ASN B 3 155 TRS B B 1 FT #HET 117 97 LEU B 3 155 TRS B A 2 FT #HET 133 113 GLN B 6 3170 DUT C S 14 FT #HET 137 117 GLN B 2 2171 TRS A S 4 FT #HET 160 140 ARG B 5 1170 DUT C S 9 FT DISORDER 1 19 FT DISORDER 157 159 FT DISORDER 161 174 CC Miss-SC 1 CC SEQUENCE 138 AA (ATOM); CC HMSTTLAIVR LDPGLPLPSR AHDGDAGVDL YSAEDVELAP GRRALVRTGV AVAVPFGMVG CC LVHPRSGLAT RVGLSIVNSP GTIDAGYRGE IKVALINLDP AAPIVVHRGD RIAQLLVQRV CC ELVELVEVSS FDEAGLAR CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSSHHHHHHSSGLVPRGSHMSTTLAIVRLDPGLPLPSRAHDGDAGVDLY CC ATOM -------------------HMSTTLAIVRLDPGLPLPSRAHDGDAGVDLY CC ******************************* CC SEQRES SAEDVELAPGRRALVRTGVAVAVPFGMVGLVHPRSGLATRVGLSIVNSPG CC ATOM SAEDVELAPGRRALVRTGVAVAVPFGMVGLVHPRSGLATRVGLSIVNSPG CC ************************************************** CC SEQRES TIDAGYRGEIKVALINLDPAAPIVVHRGDRIAQLLVQRVELVELVEVSSF CC ATOM TIDAGYRGEIKVALINLDPAAPIVVHRGDRIAQLLVQRVELVELVEVSSF CC ************************************************** CC SEQRES DEAGLASTSRGDGGHGSSGGHASL CC ATOM DEAGLA---R-------------- CC ****** * SQ SEQUENCE 174 AA; MW; CN; MGSSHHHHHH SSGLVPRGSH MSTTLAIVRL DPGLPLPSRA HDGDAGVDLY SAEDVELAPG RRALVRTGVA VAVPFGMVGL VHPRSGLATR VGLSIVNSPG TIDAGYRGEI KVALINLDPA APIVVHRGDR IAQLLVQRVE LVELVEVSSF DEAGLASTSR GDGGHGSSGG HASL // ID 1SMCC STANDARD; PRT; 174 AA. DT CONVERTED FROM PDB (SEQRES) 1SMC DE Deoxyuridine 5'-triphosphate nucleotidohydrolase OS Mycobacterium tuberculosis CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.100 CC R-Factor 0.170 FT #SUB 23 3 THR C 140 120 GLU A Protein S 2 FT #SUB 23 3 THR C 142 122 VAL A Protein B 4 FT #SUB 23 3 THR C 143 123 GLU A Protein B 2 FT #SUB 24 4 THR C 143 123 GLU A Protein A 3 FT #SUB 25 5 LEU C 142 122 VAL A Protein S 2 FT #SUB 25 5 LEU C 143 123 GLU A Protein B 2 FT #SUB 25 5 LEU C 144 124 LEU A Protein B 2 FT #SUB 25 5 LEU C 145 125 VAL A Protein B 4 FT #SUB 26 6 ALA C 145 125 VAL A Protein B 2 FT #SUB 27 7 ILE C 145 125 VAL A Protein A 4 FT #SUB 27 7 ILE C 146 126 GLU A Protein A 5 FT #SUB 27 7 ILE C 147 127 VAL A Protein B 4 FT #SUB 28 8 VAL C 147 127 VAL A Protein A 3 FT #SUB 28 8 VAL C 150 130 PHE A Protein S 2 FT #SUB 29 9 ARG C 146 126 GLU A Protein S 10 FT #SUB 37 17 PRO C 144 124 LEU A Protein A 3 FT #SUB 39 19 ARG C 141 121 LEU A Protein S 1 FT #SUB 39 19 ARG C 142 122 VAL A Protein S 7 FT #SUB 43 23 GLY C 75 55 PHE A Protein B 3 FT #SUB 43 23 GLY C 104 84 ALA A Protein B 2 FT #SUB 43 23 GLY C 141 121 LEU A Protein B 1 FT #SUB 44 24 ASP C 103 83 ASP A Protein A 9 FT #SUB 44 24 ASP C 141 121 LEU A Protein B 1 FT #SUB 45 25 ALA C 78 58 VAL A Protein S 2 FT #SUB 45 25 ALA C 103 83 ASP A Protein A 2 FT #SUB 45 25 ALA C 139 119 VAL A Protein B 1 FT #SUB 70 50 ALA C 150 130 PHE A Protein A 3 FT #SUB 71 51 VAL C 150 130 PHE A Protein B 4 FT #SUB 72 52 ALA C 150 130 PHE A Protein A 2 FT #SUB 77 57 MET C 140 120 GLU A Protein S 2 FT #SUB 82 62 HIS C 80 60 LEU A Protein S 1 FT #SUB 82 62 HIS C 99 79 PRO A Protein S 5 FT #SUB 82 62 HIS C 101 81 THR A Protein S 4 FT #SUB 83 63 PRO C 97 77 ASN A Protein S 5 FT #SUB 83 63 PRO C 98 78 SER A Protein S 2 FT #SUB 85 65 SER C 97 77 ASN A Protein A 2 FT #SUB 88 68 ALA C 62 42 ARG A Protein B 2 FT #SUB 88 68 ALA C 96 76 VAL A Protein A 4 FT #SUB 88 68 ALA C 97 77 ASN A Protein S 1 FT #SUB 89 69 THR C 62 42 ARG A Protein B 5 FT #SUB 89 69 THR C 64 44 LEU A Protein S 3 FT #SUB 89 69 THR C 113 93 ALA A Protein S 1 FT #SUB 90 70 ARG C 62 42 ARG A Protein B 2 FT #SUB 91 71 VAL C 62 42 ARG A Protein B 4 FT #SUB 92 72 GLY C 62 42 ARG A Protein B 7 FT #SUB 93 73 LEU C 96 76 VAL A Protein B 1 FT #SUB 94 74 SER C 96 76 VAL A Protein S 3 FT #SUB 98 78 SER C 98 78 SER A Protein S 3 FT #SUB 98 78 SER C 99 79 PRO A Protein S 2 FT #SUB 107 87 ARG C 150 130 PHE A Protein A 4 FT #SUB 117 97 LEU C 60 40 GLY A Protein B 1 FT #SUB 117 97 LEU C 115 95 ILE A Protein S 1 FT #SUB 118 98 ASP C 62 42 ARG A Protein A 6 FT #SUB 119 99 PRO C 60 40 GLY A Protein S 1 FT #SUB 119 99 PRO C 61 41 ARG A Protein S 3 FT #SUB 133 113 GLN C 101 81 THR A Protein S 3 FT #SUB 136 116 VAL C 139 119 VAL A Protein B 2 FT #SUB 136 116 VAL C 140 120 GLU A Protein B 5 FT #SUB 136 116 VAL C 142 122 VAL A Protein S 2 FT #SUB 137 117 GLN C 137 117 GLN A Protein S 5 FT #SUB 137 117 GLN C 138 118 ARG A Protein S 3 FT #SUB 138 118 ARG C 140 120 GLU A Protein S 4 FT #SUB 41 21 HIS C 160 140 ARG B Protein S 7 FT #SUB 44 24 ASP C 160 140 ARG B Protein S 4 FT #SUB 60 40 GLY C 117 97 LEU B Protein B 1 FT #SUB 61 41 ARG C 119 99 PRO B Protein S 2 FT #SUB 62 42 ARG C 88 68 ALA B Protein S 2 FT #SUB 62 42 ARG C 89 69 THR B Protein S 3 FT #SUB 62 42 ARG C 90 70 ARG B Protein S 2 FT #SUB 62 42 ARG C 91 71 VAL B Protein S 5 FT #SUB 62 42 ARG C 92 72 GLY B Protein S 6 FT #SUB 62 42 ARG C 118 98 ASP B Protein S 5 FT #SUB 64 44 LEU C 89 69 THR B Protein S 1 FT #SUB 75 55 PHE C 43 23 GLY B Protein S 2 FT #SUB 76 56 GLY C 20 0 HIS B Protein B 1 FT #SUB 78 58 VAL C 45 25 ALA B Protein S 2 FT #SUB 78 58 VAL C 137 117 GLN B Protein S 1 FT #SUB 80 60 LEU C 82 62 HIS B Protein S 1 FT #SUB 96 76 VAL C 88 68 ALA B Protein S 3 FT #SUB 96 76 VAL C 93 73 LEU B Protein S 1 FT #SUB 96 76 VAL C 94 74 SER B Protein B 3 FT #SUB 97 77 ASN C 83 63 PRO B Protein B 5 FT #SUB 97 77 ASN C 85 65 SER B Protein S 2 FT #SUB 97 77 ASN C 88 68 ALA B Protein S 1 FT #SUB 98 78 SER C 83 63 PRO B Protein B 2 FT #SUB 98 78 SER C 98 78 SER B Protein B 3 FT #SUB 99 79 PRO C 82 62 HIS B Protein A 5 FT #SUB 99 79 PRO C 98 78 SER B Protein A 2 FT #SUB 99 79 PRO C 99 79 PRO B Protein S 1 FT #SUB 101 81 THR C 45 25 ALA B Protein S 1 FT #SUB 101 81 THR C 82 62 HIS B Protein S 3 FT #SUB 101 81 THR C 133 113 GLN B Protein S 2 FT #SUB 103 83 ASP C 44 24 ASP B Protein S 5 FT #SUB 103 83 ASP C 45 25 ALA B Protein S 3 FT #SUB 104 84 ALA C 43 23 GLY B Protein S 1 FT #SUB 115 95 ILE C 117 97 LEU B Protein S 2 FT #SUB 137 117 GLN C 137 117 GLN B Protein S 5 FT #SUB 138 118 ARG C 137 117 GLN B Protein B 3 FT #SUB 139 119 VAL C 45 25 ALA B Protein S 1 FT #SUB 139 119 VAL C 136 116 VAL B Protein A 2 FT #SUB 140 120 GLU C 22 2 SER B Protein A 7 FT #SUB 140 120 GLU C 77 57 MET B Protein S 4 FT #SUB 140 120 GLU C 136 116 VAL B Protein A 5 FT #SUB 140 120 GLU C 138 118 ARG B Protein S 5 FT #SUB 141 121 LEU C 22 2 SER B Protein B 5 FT #SUB 141 121 LEU C 39 19 ARG B Protein B 1 FT #SUB 141 121 LEU C 43 23 GLY B Protein S 2 FT #SUB 141 121 LEU C 44 24 ASP B Protein S 1 FT #SUB 142 122 VAL C 22 2 SER B Protein A 3 FT #SUB 142 122 VAL C 23 3 THR B Protein A 4 FT #SUB 142 122 VAL C 25 5 LEU B Protein S 1 FT #SUB 142 122 VAL C 39 19 ARG B Protein A 6 FT #SUB 143 123 GLU C 23 3 THR B Protein A 2 FT #SUB 143 123 GLU C 24 4 THR B Protein B 4 FT #SUB 143 123 GLU C 25 5 LEU B Protein B 3 FT #SUB 144 124 LEU C 25 5 LEU B Protein B 2 FT #SUB 144 124 LEU C 37 17 PRO B Protein S 3 FT #SUB 145 125 VAL C 24 4 THR B Protein S 2 FT #SUB 145 125 VAL C 25 5 LEU B Protein B 2 FT #SUB 145 125 VAL C 26 6 ALA B Protein B 2 FT #SUB 145 125 VAL C 27 7 ILE B Protein B 5 FT #SUB 146 126 GLU C 27 7 ILE B Protein A 5 FT #SUB 146 126 GLU C 29 9 ARG B Protein S 10 FT #SUB 147 127 VAL C 26 6 ALA B Protein S 1 FT #SUB 147 127 VAL C 27 7 ILE B Protein A 5 FT #SUB 147 127 VAL C 28 8 VAL B Protein A 3 FT #SUB 148 128 SER C 28 8 VAL B Protein B 1 FT #SUB 149 129 SER C 28 8 VAL B Protein B 1 FT #SUB 150 130 PHE C 26 6 ALA B Protein S 3 FT #SUB 150 130 PHE C 28 8 VAL B Protein S 3 FT #SUB 150 130 PHE C 70 50 ALA B Protein S 3 FT #SUB 150 130 PHE C 71 51 VAL B Protein S 6 FT #SUB 150 130 PHE C 72 52 ALA B Protein S 3 FT #SUB 150 130 PHE C 107 87 ARG B Protein S 3 FT #HET 60 40 GLY C 3 155 TRS B B 1 FT #HET 80 60 LEU C 2 2171 TRS A S 5 FT #HET 81 61 VAL C 6 3170 DUT C S 3 FT #HET 82 62 HIS C 2 2171 TRS A S 5 FT #HET 84 64 ARG C 5 1170 DUT C S 9 FT #HET 85 65 SER C 5 1170 DUT C A 20 FT #HET 86 66 GLY C 5 1170 DUT C B 2 FT #HET 94 74 SER C 7 3171 TRS C S 5 FT #HET 95 75 ILE C 7 3171 TRS C B 3 FT #HET 96 76 VAL C 7 3171 TRS C B 4 FT #HET 97 77 ASN C 6 3170 DUT C S 8 FT #HET 99 79 PRO C 2 2171 TRS A S 3 FT #HET 100 80 GLY C 6 3170 DUT C B 4 FT #HET 101 81 THR C 6 3170 DUT C A 17 FT #HET 102 82 ILE C 6 3170 DUT C A 18 FT #HET 103 83 ASP C 6 3170 DUT C A 16 FT #HET 106 86 TYR C 6 3170 DUT C S 18 FT #HET 107 87 ARG C 4 155 NO3 C S 9 FT #HET 109 89 GLU C 6 3170 DUT C B 2 FT #HET 110 90 ILE C 6 3170 DUT C B 4 FT #HET 111 91 LYS C 6 3170 DUT C B 17 FT #HET 116 96 ASN C 3 155 TRS B B 1 FT #HET 117 97 LEU C 3 155 TRS B A 2 FT #HET 117 97 LEU C 7 3171 TRS C S 1 FT #HET 133 113 GLN C 5 1170 DUT C S 4 FT #HET 137 117 GLN C 2 2171 TRS A S 5 FT DISORDER 1 21 FT DISORDER 151 174 CC SEQUENCE 129 AA (ATOM); CC STTLAIVRLD PGLPLPSRAH DGDAGVDLYS AEDVELAPGR RALVRTGVAV AVPFGMVGLV CC HPRSGLATRV GLSIVNSPGT IDAGYRGEIK VALINLDPAA PIVVHRGDRI AQLLVQRVEL CC VELVEVSSF CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES MGSSHHHHHHSSGLVPRGSHMSTTLAIVRLDPGLPLPSRAHDGDAGVDLY CC ATOM ---------------------STTLAIVRLDPGLPLPSRAHDGDAGVDLY CC ***************************** CC SEQRES SAEDVELAPGRRALVRTGVAVAVPFGMVGLVHPRSGLATRVGLSIVNSPG CC ATOM SAEDVELAPGRRALVRTGVAVAVPFGMVGLVHPRSGLATRVGLSIVNSPG CC ************************************************** CC SEQRES TIDAGYRGEIKVALINLDPAAPIVVHRGDRIAQLLVQRVELVELVEVSSF CC ATOM TIDAGYRGEIKVALINLDPAAPIVVHRGDRIAQLLVQRVELVELVEVSSF CC ************************************************** CC SEQRES DEAGLASTSRGDGGHGSSGGHASL CC ATOM ------------------------ CC SQ SEQUENCE 174 AA; MW; CN; MGSSHHHHHH SSGLVPRGSH MSTTLAIVRL DPGLPLPSRA HDGDAGVDLY SAEDVELAPG RRALVRTGVA VAVPFGMVGL VHPRSGLATR VGLSIVNSPG TIDAGYRGEI KVALINLDPA APIVVHRGDR IAQLLVQRVE LVELVEVSSF DEAGLASTSR GDGGHGSSGG HASL //