ID 3T80A STANDARD; PRT; 162 AA. DT CONVERTED FROM PDB (SEQRES) 3T80 DE 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase OS Salmonella enterica subsp. enterica serovar Typhimurium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.212 FT #SUB 4 1 MET A 4 1 MET B Protein S 2 FT #SUB 6 3 ILE A 6 3 ILE B Protein S 2 FT #SUB 96 93 ASN A 5 2 ARG B Protein S 9 FT #SUB 96 93 ASN A 6 3 ILE B Protein A 13 FT #SUB 96 93 ASN A 54 51 ALA B Protein S 1 FT #SUB 98 95 ASP A 6 3 ILE B Protein S 1 FT #SUB 98 95 ASP A 7 4 GLY B Protein S 2 FT #SUB 98 95 ASP A 8 5 HIS B Protein S 6 FT #SUB 98 95 ASP A 53 50 GLY B Protein S 4 FT #SUB 100 97 THR A 8 5 HIS B Protein S 2 FT #SUB 128 125 ASP A 5 2 ARG B Protein B 4 FT #SUB 128 125 ASP A 56 53 ALA B Protein A 2 FT #SUB 128 125 ASP A 90 87 LYS B Protein S 3 FT #SUB 129 126 GLU A 5 2 ARG B Protein A 2 FT #SUB 131 128 ASN A 53 50 GLY B Protein S 4 FT #SUB 131 128 ASN A 56 53 ALA B Protein S 4 FT #SUB 131 128 ASN A 57 54 LEU B Protein S 1 FT #SUB 131 128 ASN A 58 55 GLY B Protein S 11 FT #SUB 133 130 LYS A 8 5 HIS B Protein S 3 FT #SUB 133 130 LYS A 49 46 ASP B Protein S 1 FT #SUB 133 130 LYS A 58 55 GLY B Protein S 3 FT #SUB 133 130 LYS A 59 56 ASP B Protein S 3 FT #SUB 134 131 ALA A 59 56 ASP B Protein B 2 FT #SUB 137 134 THR A 12 9 VAL B Protein B 1 FT #SUB 138 135 GLU A 12 9 VAL B Protein S 3 FT #SUB 138 135 GLU A 13 10 HIS B Protein S 4 FT #SUB 140 137 LEU A 12 9 VAL B Protein S 1 FT #SUB 140 137 LEU A 13 10 HIS B Protein S 2 FT #SUB 140 137 LEU A 14 11 ALA B Protein S 3 FT #SUB 140 137 LEU A 142 139 PHE B Protein S 4 FT #SUB 140 137 LEU A 147 144 GLU B Protein S 2 FT #SUB 141 138 GLY A 142 139 PHE B Protein B 4 FT #SUB 152 149 GLU A 8 5 HIS B Protein S 5 FT #SUB 152 149 GLU A 152 149 GLU B Protein S 9 FT #SUB 154 151 VAL A 6 3 ILE B Protein S 2 FT #SUB 154 151 VAL A 8 5 HIS B Protein S 3 FT #SUB 155 152 ALA A 6 3 ILE B Protein B 1 FT #SUB 156 153 LEU A 4 1 MET B Protein S 3 FT #SUB 156 153 LEU A 6 3 ILE B Protein A 2 FT #SUB 4 1 MET A 156 153 LEU C Protein B 2 FT #SUB 5 2 ARG A 96 93 ASN C Protein A 7 FT #SUB 5 2 ARG A 128 125 ASP C Protein S 5 FT #SUB 5 2 ARG A 129 126 GLU C Protein S 3 FT #SUB 5 2 ARG A 156 153 LEU C Protein B 1 FT #SUB 6 3 ILE A 96 93 ASN C Protein A 12 FT #SUB 6 3 ILE A 98 95 ASP C Protein B 1 FT #SUB 6 3 ILE A 154 151 VAL C Protein S 3 FT #SUB 6 3 ILE A 155 152 ALA C Protein S 1 FT #SUB 6 3 ILE A 156 153 LEU C Protein S 3 FT #SUB 7 4 GLY A 98 95 ASP C Protein B 2 FT #SUB 7 4 GLY A 154 151 VAL C Protein B 1 FT #SUB 8 5 HIS A 98 95 ASP C Protein A 6 FT #SUB 8 5 HIS A 100 97 THR C Protein A 2 FT #SUB 8 5 HIS A 133 130 LYS C Protein B 3 FT #SUB 8 5 HIS A 152 149 GLU C Protein S 4 FT #SUB 8 5 HIS A 154 151 VAL C Protein S 2 FT #SUB 10 7 PHE A 135 132 THR C Protein A 4 FT #SUB 11 8 ASP A 135 132 THR C Protein S 1 FT #SUB 12 9 VAL A 137 134 THR C Protein S 1 FT #SUB 12 9 VAL A 138 135 GLU C Protein B 4 FT #SUB 12 9 VAL A 140 137 LEU C Protein S 1 FT #SUB 13 10 HIS A 138 135 GLU C Protein S 4 FT #SUB 14 11 ALA A 140 137 LEU C Protein B 1 FT #SUB 49 46 ASP A 133 130 LYS C Protein B 2 FT #SUB 53 50 GLY A 98 95 ASP C Protein B 7 FT #SUB 53 50 GLY A 131 128 ASN C Protein B 4 FT #SUB 54 51 ALA A 96 93 ASN C Protein B 1 FT #SUB 56 53 ALA A 128 125 ASP C Protein S 3 FT #SUB 56 53 ALA A 131 128 ASN C Protein B 5 FT #SUB 57 54 LEU A 131 128 ASN C Protein B 2 FT #SUB 58 55 GLY A 131 128 ASN C Protein B 10 FT #SUB 58 55 GLY A 133 130 LYS C Protein B 3 FT #SUB 59 56 ASP A 133 130 LYS C Protein S 5 FT #SUB 59 56 ASP A 134 131 ALA C Protein S 2 FT #SUB 90 87 LYS A 128 125 ASP C Protein S 4 FT #SUB 142 139 PHE A 140 137 LEU C Protein S 4 FT #SUB 142 139 PHE A 141 138 GLY C Protein S 2 FT #SUB 147 144 GLU A 140 137 LEU C Protein B 1 FT #SUB 148 145 GLY A 140 137 LEU C Protein B 1 FT #SUB 152 149 GLU A 152 149 GLU C Protein S 6 FT #SUB 25 22 GLY A 114 111 GLN F Protein B 1 FT #SUB 26 23 VAL A 114 111 GLN F Protein B 2 FT #SUB 27 24 ARG A 114 111 GLN F Protein A 3 FT #SUB 27 24 ARG A 117 114 VAL F Protein S 1 FT #SUB 27 24 ARG A 127 124 MET F Protein S 3 FT #SUB 29 26 PRO A 110 107 PRO F Protein S 2 FT #SUB 110 107 PRO A 29 26 PRO F Protein B 2 FT #SUB 110 107 PRO A 111 108 HIS F Protein A 4 FT #SUB 111 108 HIS A 110 107 PRO F Protein S 5 FT #SUB 111 108 HIS A 111 108 HIS F Protein S 1 FT #SUB 113 110 PRO A 27 24 ARG F Protein S 1 FT #SUB 114 111 GLN A 25 22 GLY F Protein S 1 FT #SUB 114 111 GLN A 26 23 VAL F Protein S 2 FT #SUB 114 111 GLN A 27 24 ARG F Protein S 3 FT #SUB 114 111 GLN A 118 115 PHE F Protein S 1 FT #SUB 117 114 VAL A 27 24 ARG F Protein S 1 FT #SUB 118 115 PHE A 114 111 GLN F Protein S 1 FT #SUB 118 115 PHE A 118 115 PHE F Protein S 4 FT #SUB 127 124 MET A 27 24 ARG F Protein S 3 FT #HET 11 8 ASP A 1 301 ZN A S 3 FT #HET 11 8 ASP A 2 302 MG A S 3 FT #HET 13 10 HIS A 1 301 ZN A S 3 FT #HET 45 42 HIS A 1 301 ZN A S 3 FT #HET 59 56 ASP A 18 401 CTN C S 6 FT #HET 61 58 GLY A 18 401 CTN C B 3 FT #HET 62 59 LYS A 18 401 CTN C B 1 FT #HET 103 100 ALA A 4 401 CTN A A 5 FT #HET 104 101 GLN A 8 164 EDO A B 3 FT #HET 106 103 PRO A 4 401 CTN A B 3 FT #HET 107 104 LYS A 4 401 CTN A B 2 FT #HET 107 104 LYS A 8 164 EDO A B 2 FT #HET 108 105 MET A 4 401 CTN A A 9 FT #HET 109 106 LEU A 4 401 CTN A A 5 FT #HET 134 131 ALA A 4 401 CTN A B 4 FT #HET 135 132 THR A 3 160 MG A S 1 FT #HET 135 132 THR A 4 401 CTN A B 5 FT #HET 136 133 THR A 4 401 CTN A S 2 FT #HET 138 135 GLU A 3 160 MG A S 1 FT #HET 139 136 LYS A 15 164 EDO B B 1 FT #HET 140 137 LEU A 15 164 EDO B S 1 FT #HET 141 138 GLY A 5 161 POP A B 4 FT #HET 142 139 PHE A 5 161 POP A A 5 FT #HET 142 139 PHE A 6 162 EDO A S 3 FT #HET 145 142 ARG A 5 161 POP A S 6 FT #HET 152 149 GLU A 10 160 MG B S 4 FT DISORDER 1 2 FT DISORDER 160 162 CC SEQUENCE 157 AA (ATOM); CC AMRIGHGFDV HAFGGEGPII IGGVRIPYEK GLLAHSDGDV ALHALTDALL GAAALGDIGK CC LFPDTDPAFK GADSRELLRE AWRRIQAKGY TLGNVDVTII AQAPKMLPHI PQMRVFIAED CC LGCHMDEVNV KATTTEKLGF TGRGEGIACE AVALLMK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ATOM --AMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ************************************************ CC SEQRES LLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVT CC ATOM LLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVT CC ************************************************** CC SEQRES IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ATOM IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ************************************************** CC SEQRES CEAVALLMKAAK CC ATOM CEAVALLMK--- CC ********* SQ SEQUENCE 162 AA; MW; CN; SNAMRIGHGF DVHAFGGEGP IIIGGVRIPY EKGLLAHSDG DVALHALTDA LLGAAALGDI GKLFPDTDPA FKGADSRELL REAWRRIQAK GYTLGNVDVT IIAQAPKMLP HIPQMRVFIA EDLGCHMDEV NVKATTTEKL GFTGRGEGIA CEAVALLMKA AK // ID 3T80B STANDARD; PRT; 162 AA. DT CONVERTED FROM PDB (SEQRES) 3T80 DE 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase OS Salmonella enterica subsp. enterica serovar Typhimurium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.212 FT #SUB 4 1 MET B 4 1 MET A Protein S 2 FT #SUB 4 1 MET B 156 153 LEU A Protein A 3 FT #SUB 5 2 ARG B 96 93 ASN A Protein A 9 FT #SUB 5 2 ARG B 128 125 ASP A Protein S 4 FT #SUB 5 2 ARG B 129 126 GLU A Protein S 2 FT #SUB 6 3 ILE B 6 3 ILE A Protein S 2 FT #SUB 6 3 ILE B 96 93 ASN A Protein A 13 FT #SUB 6 3 ILE B 98 95 ASP A Protein B 1 FT #SUB 6 3 ILE B 154 151 VAL A Protein S 2 FT #SUB 6 3 ILE B 155 152 ALA A Protein S 1 FT #SUB 6 3 ILE B 156 153 LEU A Protein S 2 FT #SUB 7 4 GLY B 98 95 ASP A Protein B 2 FT #SUB 8 5 HIS B 98 95 ASP A Protein B 6 FT #SUB 8 5 HIS B 100 97 THR A Protein A 2 FT #SUB 8 5 HIS B 133 130 LYS A Protein B 3 FT #SUB 8 5 HIS B 152 149 GLU A Protein S 5 FT #SUB 8 5 HIS B 154 151 VAL A Protein A 3 FT #SUB 12 9 VAL B 137 134 THR A Protein S 1 FT #SUB 12 9 VAL B 138 135 GLU A Protein B 3 FT #SUB 12 9 VAL B 140 137 LEU A Protein S 1 FT #SUB 13 10 HIS B 138 135 GLU A Protein S 4 FT #SUB 13 10 HIS B 140 137 LEU A Protein B 2 FT #SUB 14 11 ALA B 140 137 LEU A Protein A 3 FT #SUB 49 46 ASP B 133 130 LYS A Protein B 1 FT #SUB 53 50 GLY B 98 95 ASP A Protein B 4 FT #SUB 53 50 GLY B 131 128 ASN A Protein B 4 FT #SUB 54 51 ALA B 96 93 ASN A Protein B 1 FT #SUB 56 53 ALA B 128 125 ASP A Protein S 2 FT #SUB 56 53 ALA B 131 128 ASN A Protein B 4 FT #SUB 57 54 LEU B 131 128 ASN A Protein B 1 FT #SUB 58 55 GLY B 131 128 ASN A Protein B 11 FT #SUB 58 55 GLY B 133 130 LYS A Protein B 3 FT #SUB 59 56 ASP B 133 130 LYS A Protein S 3 FT #SUB 59 56 ASP B 134 131 ALA A Protein S 2 FT #SUB 90 87 LYS B 128 125 ASP A Protein S 3 FT #SUB 142 139 PHE B 140 137 LEU A Protein S 4 FT #SUB 142 139 PHE B 141 138 GLY A Protein S 4 FT #SUB 147 144 GLU B 140 137 LEU A Protein A 2 FT #SUB 152 149 GLU B 152 149 GLU A Protein S 9 FT #SUB 96 93 ASN B 5 2 ARG C Protein S 7 FT #SUB 96 93 ASN B 6 3 ILE C Protein S 7 FT #SUB 98 95 ASP B 7 4 GLY C Protein S 2 FT #SUB 98 95 ASP B 8 5 HIS C Protein S 5 FT #SUB 98 95 ASP B 53 50 GLY C Protein S 4 FT #SUB 100 97 THR B 8 5 HIS C Protein S 3 FT #SUB 102 99 ILE B 10 7 PHE C Protein S 1 FT #SUB 128 125 ASP B 5 2 ARG C Protein A 5 FT #SUB 128 125 ASP B 56 53 ALA C Protein A 2 FT #SUB 128 125 ASP B 90 87 LYS C Protein S 4 FT #SUB 129 126 GLU B 5 2 ARG C Protein S 1 FT #SUB 131 128 ASN B 53 50 GLY C Protein S 4 FT #SUB 131 128 ASN B 56 53 ALA C Protein S 4 FT #SUB 131 128 ASN B 57 54 LEU C Protein S 2 FT #SUB 131 128 ASN B 58 55 GLY C Protein S 11 FT #SUB 133 130 LYS B 8 5 HIS C Protein S 4 FT #SUB 133 130 LYS B 49 46 ASP C Protein S 1 FT #SUB 133 130 LYS B 58 55 GLY C Protein S 3 FT #SUB 133 130 LYS B 59 56 ASP C Protein A 4 FT #SUB 134 131 ALA B 59 56 ASP C Protein B 2 FT #SUB 135 132 THR B 10 7 PHE C Protein S 4 FT #SUB 135 132 THR B 11 8 ASP C Protein S 1 FT #SUB 137 134 THR B 12 9 VAL C Protein B 3 FT #SUB 138 135 GLU B 12 9 VAL C Protein S 4 FT #SUB 138 135 GLU B 13 10 HIS C Protein S 5 FT #SUB 140 137 LEU B 142 139 PHE C Protein S 4 FT #SUB 140 137 LEU B 147 144 GLU C Protein S 1 FT #SUB 140 137 LEU B 148 145 GLY C Protein S 1 FT #SUB 141 138 GLY B 142 139 PHE C Protein B 4 FT #SUB 152 149 GLU B 8 5 HIS C Protein S 6 FT #SUB 152 149 GLU B 152 149 GLU C Protein S 5 FT #SUB 154 151 VAL B 6 3 ILE C Protein S 3 FT #SUB 154 151 VAL B 8 5 HIS C Protein S 2 FT #SUB 155 152 ALA B 6 3 ILE C Protein B 4 FT #SUB 156 153 LEU B 4 1 MET C Protein S 3 FT #SUB 156 153 LEU B 6 3 ILE C Protein A 2 FT #HET 11 8 ASP B 3 160 MG A S 1 FT #HET 11 8 ASP B 9 301 ZN B S 3 FT #HET 13 10 HIS B 9 301 ZN B S 3 FT #HET 45 42 HIS B 9 301 ZN B S 3 FT #HET 59 56 ASP B 4 401 CTN A S 6 FT #HET 61 58 GLY B 4 401 CTN A B 2 FT #HET 103 100 ALA B 11 401 CTN B A 5 FT #HET 104 101 GLN B 13 162 EDO B B 2 FT #HET 106 103 PRO B 11 401 CTN B B 3 FT #HET 107 104 LYS B 11 401 CTN B B 4 FT #HET 107 104 LYS B 13 162 EDO B B 1 FT #HET 108 105 MET B 11 401 CTN B A 9 FT #HET 109 106 LEU B 11 401 CTN B A 5 FT #HET 124 121 GLY B 14 163 EDO B B 1 FT #HET 126 123 HIS B 14 163 EDO B A 4 FT #HET 134 131 ALA B 11 401 CTN B A 15 FT #HET 135 132 THR B 11 401 CTN B B 7 FT #HET 135 132 THR B 17 302 MG C S 2 FT #HET 136 133 THR B 11 401 CTN B A 3 FT #HET 141 138 GLY B 5 161 POP A B 4 FT #HET 142 139 PHE B 5 161 POP A A 4 FT #HET 142 139 PHE B 6 162 EDO A S 1 FT #HET 142 139 PHE B 12 161 EDO B S 2 FT #HET 145 142 ARG B 5 161 POP A S 8 FT #HET 147 144 GLU B 15 164 EDO B S 2 FT #HET 152 149 GLU B 10 160 MG B S 4 FT DISORDER 1 2 FT DISORDER 64 73 FT DISORDER 160 162 CC SEQUENCE 147 AA (ATOM); CC AMRIGHGFDV HAFGGEGPII IGGVRIPYEK GLLAHSDGDV ALHALTDALL GAAALGDIGK CC LADSRELLRE AWRRIQAKGY TLGNVDVTII AQAPKMLPHI PQMRVFIAED LGCHMDEVNV CC KATTTEKLGF TGRGEGIACE AVALLMK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ATOM --AMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ************************************************ CC SEQRES LLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVT CC ATOM LLGAAALGDIGKL----------ADSRELLREAWRRIQAKGYTLGNVDVT CC ************* *************************** CC SEQRES IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ATOM IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ************************************************** CC SEQRES CEAVALLMKAAK CC ATOM CEAVALLMK--- CC ********* SQ SEQUENCE 162 AA; MW; CN; SNAMRIGHGF DVHAFGGEGP IIIGGVRIPY EKGLLAHSDG DVALHALTDA LLGAAALGDI GKLFPDTDPA FKGADSRELL REAWRRIQAK GYTLGNVDVT IIAQAPKMLP HIPQMRVFIA EDLGCHMDEV NVKATTTEKL GFTGRGEGIA CEAVALLMKA AK // ID 3T80C STANDARD; PRT; 162 AA. DT CONVERTED FROM PDB (SEQRES) 3T80 DE 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase OS Salmonella enterica subsp. enterica serovar Typhimurium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.212 FT #SUB 96 93 ASN C 5 2 ARG A Protein S 7 FT #SUB 96 93 ASN C 6 3 ILE A Protein S 12 FT #SUB 96 93 ASN C 54 51 ALA A Protein S 1 FT #SUB 98 95 ASP C 6 3 ILE A Protein S 1 FT #SUB 98 95 ASP C 7 4 GLY A Protein S 2 FT #SUB 98 95 ASP C 8 5 HIS A Protein S 6 FT #SUB 98 95 ASP C 53 50 GLY A Protein S 7 FT #SUB 100 97 THR C 8 5 HIS A Protein S 2 FT #SUB 128 125 ASP C 5 2 ARG A Protein A 5 FT #SUB 128 125 ASP C 56 53 ALA A Protein A 3 FT #SUB 128 125 ASP C 90 87 LYS A Protein S 4 FT #SUB 129 126 GLU C 5 2 ARG A Protein A 3 FT #SUB 131 128 ASN C 53 50 GLY A Protein S 4 FT #SUB 131 128 ASN C 56 53 ALA A Protein S 5 FT #SUB 131 128 ASN C 57 54 LEU A Protein S 2 FT #SUB 131 128 ASN C 58 55 GLY A Protein S 10 FT #SUB 133 130 LYS C 8 5 HIS A Protein S 3 FT #SUB 133 130 LYS C 49 46 ASP A Protein S 2 FT #SUB 133 130 LYS C 58 55 GLY A Protein S 3 FT #SUB 133 130 LYS C 59 56 ASP A Protein A 5 FT #SUB 134 131 ALA C 59 56 ASP A Protein B 2 FT #SUB 135 132 THR C 10 7 PHE A Protein S 4 FT #SUB 135 132 THR C 11 8 ASP A Protein S 1 FT #SUB 137 134 THR C 12 9 VAL A Protein B 1 FT #SUB 138 135 GLU C 12 9 VAL A Protein S 4 FT #SUB 138 135 GLU C 13 10 HIS A Protein S 4 FT #SUB 140 137 LEU C 12 9 VAL A Protein S 1 FT #SUB 140 137 LEU C 14 11 ALA A Protein S 1 FT #SUB 140 137 LEU C 142 139 PHE A Protein S 4 FT #SUB 140 137 LEU C 147 144 GLU A Protein S 1 FT #SUB 140 137 LEU C 148 145 GLY A Protein S 1 FT #SUB 141 138 GLY C 142 139 PHE A Protein B 2 FT #SUB 152 149 GLU C 8 5 HIS A Protein S 4 FT #SUB 152 149 GLU C 152 149 GLU A Protein S 6 FT #SUB 154 151 VAL C 6 3 ILE A Protein S 3 FT #SUB 154 151 VAL C 7 4 GLY A Protein S 1 FT #SUB 154 151 VAL C 8 5 HIS A Protein S 2 FT #SUB 155 152 ALA C 6 3 ILE A Protein B 1 FT #SUB 156 153 LEU C 4 1 MET A Protein S 2 FT #SUB 156 153 LEU C 5 2 ARG A Protein S 1 FT #SUB 156 153 LEU C 6 3 ILE A Protein A 3 FT #SUB 4 1 MET C 156 153 LEU B Protein A 3 FT #SUB 5 2 ARG C 96 93 ASN B Protein A 7 FT #SUB 5 2 ARG C 128 125 ASP B Protein S 5 FT #SUB 5 2 ARG C 129 126 GLU B Protein S 1 FT #SUB 6 3 ILE C 96 93 ASN B Protein A 7 FT #SUB 6 3 ILE C 154 151 VAL B Protein S 3 FT #SUB 6 3 ILE C 155 152 ALA B Protein S 4 FT #SUB 6 3 ILE C 156 153 LEU B Protein S 2 FT #SUB 7 4 GLY C 98 95 ASP B Protein B 2 FT #SUB 8 5 HIS C 98 95 ASP B Protein B 5 FT #SUB 8 5 HIS C 100 97 THR B Protein A 3 FT #SUB 8 5 HIS C 133 130 LYS B Protein B 4 FT #SUB 8 5 HIS C 152 149 GLU B Protein S 6 FT #SUB 8 5 HIS C 154 151 VAL B Protein S 2 FT #SUB 10 7 PHE C 102 99 ILE B Protein S 1 FT #SUB 10 7 PHE C 135 132 THR B Protein A 4 FT #SUB 11 8 ASP C 135 132 THR B Protein S 1 FT #SUB 12 9 VAL C 137 134 THR B Protein S 3 FT #SUB 12 9 VAL C 138 135 GLU B Protein B 4 FT #SUB 13 10 HIS C 138 135 GLU B Protein S 5 FT #SUB 49 46 ASP C 133 130 LYS B Protein S 1 FT #SUB 53 50 GLY C 98 95 ASP B Protein B 4 FT #SUB 53 50 GLY C 131 128 ASN B Protein B 4 FT #SUB 56 53 ALA C 128 125 ASP B Protein S 2 FT #SUB 56 53 ALA C 131 128 ASN B Protein B 4 FT #SUB 57 54 LEU C 131 128 ASN B Protein B 2 FT #SUB 58 55 GLY C 131 128 ASN B Protein B 11 FT #SUB 58 55 GLY C 133 130 LYS B Protein B 3 FT #SUB 59 56 ASP C 133 130 LYS B Protein S 4 FT #SUB 59 56 ASP C 134 131 ALA B Protein S 2 FT #SUB 90 87 LYS C 128 125 ASP B Protein S 4 FT #SUB 142 139 PHE C 140 137 LEU B Protein S 4 FT #SUB 142 139 PHE C 141 138 GLY B Protein S 4 FT #SUB 147 144 GLU C 140 137 LEU B Protein B 1 FT #SUB 148 145 GLY C 140 137 LEU B Protein B 1 FT #SUB 152 149 GLU C 152 149 GLU B Protein S 5 FT #HET 11 8 ASP C 16 301 ZN C S 3 FT #HET 11 8 ASP C 17 302 MG C S 3 FT #HET 13 10 HIS C 16 301 ZN C S 3 FT #HET 45 42 HIS C 16 301 ZN C S 4 FT #HET 59 56 ASP C 11 401 CTN B S 8 FT #HET 61 58 GLY C 11 401 CTN B B 3 FT #HET 62 59 LYS C 11 401 CTN B B 1 FT #HET 103 100 ALA C 18 401 CTN C A 5 FT #HET 104 101 GLN C 20 161 EDO C B 3 FT #HET 105 102 ALA C 18 401 CTN C B 1 FT #HET 105 102 ALA C 20 161 EDO C S 1 FT #HET 106 103 PRO C 18 401 CTN C B 2 FT #HET 107 104 LYS C 18 401 CTN C A 4 FT #HET 107 104 LYS C 20 161 EDO C A 7 FT #HET 108 105 MET C 18 401 CTN C A 8 FT #HET 109 106 LEU C 18 401 CTN C A 6 FT #HET 134 131 ALA C 18 401 CTN C A 9 FT #HET 135 132 THR C 2 302 MG A S 2 FT #HET 135 132 THR C 18 401 CTN C B 1 FT #HET 136 133 THR C 18 401 CTN C B 1 FT #HET 141 138 GLY C 5 161 POP A B 4 FT #HET 142 139 PHE C 5 161 POP A A 5 FT #HET 142 139 PHE C 19 160 EDO C S 5 FT #HET 143 140 THR C 19 160 EDO C S 1 FT #HET 145 142 ARG C 5 161 POP A S 8 FT #HET 152 149 GLU C 10 160 MG B S 4 FT DISORDER 1 2 FT DISORDER 67 72 FT DISORDER 160 162 CC SEQUENCE 151 AA (ATOM); CC AMRIGHGFDV HAFGGEGPII IGGVRIPYEK GLLAHSDGDV ALHALTDALL GAAALGDIGK CC LFPDGADSRE LLREAWRRIQ AKGYTLGNVD VTIIAQAPKM LPHIPQMRVF IAEDLGCHMD CC EVNVKATTTE KLGFTGRGEG IACEAVALLM K CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ATOM --AMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ************************************************ CC SEQRES LLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVT CC ATOM LLGAAALGDIGKLFPD------GADSRELLREAWRRIQAKGYTLGNVDVT CC **************** **************************** CC SEQRES IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ATOM IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ************************************************** CC SEQRES CEAVALLMKAAK CC ATOM CEAVALLMK--- CC ********* SQ SEQUENCE 162 AA; MW; CN; SNAMRIGHGF DVHAFGGEGP IIIGGVRIPY EKGLLAHSDG DVALHALTDA LLGAAALGDI GKLFPDTDPA FKGADSRELL REAWRRIQAK GYTLGNVDVT IIAQAPKMLP HIPQMRVFIA EDLGCHMDEV NVKATTTEKL GFTGRGEGIA CEAVALLMKA AK // ID 3T80D STANDARD; PRT; 162 AA. DT CONVERTED FROM PDB (SEQRES) 3T80 DE 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase OS Salmonella enterica subsp. enterica serovar Typhimurium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.212 FT #SUB 6 3 ILE D 6 3 ILE E Protein S 2 FT #SUB 96 93 ASN D 5 2 ARG E Protein S 9 FT #SUB 96 93 ASN D 6 3 ILE E Protein S 13 FT #SUB 96 93 ASN D 54 51 ALA E Protein S 1 FT #SUB 98 95 ASP D 6 3 ILE E Protein S 1 FT #SUB 98 95 ASP D 7 4 GLY E Protein S 2 FT #SUB 98 95 ASP D 8 5 HIS E Protein S 5 FT #SUB 98 95 ASP D 53 50 GLY E Protein S 6 FT #SUB 100 97 THR D 8 5 HIS E Protein S 2 FT #SUB 128 125 ASP D 5 2 ARG E Protein B 5 FT #SUB 128 125 ASP D 56 53 ALA E Protein A 3 FT #SUB 128 125 ASP D 90 87 LYS E Protein S 3 FT #SUB 129 126 GLU D 5 2 ARG E Protein A 3 FT #SUB 131 128 ASN D 53 50 GLY E Protein S 5 FT #SUB 131 128 ASN D 56 53 ALA E Protein S 5 FT #SUB 131 128 ASN D 57 54 LEU E Protein S 2 FT #SUB 131 128 ASN D 58 55 GLY E Protein S 10 FT #SUB 133 130 LYS D 8 5 HIS E Protein S 2 FT #SUB 133 130 LYS D 58 55 GLY E Protein S 3 FT #SUB 133 130 LYS D 59 56 ASP E Protein S 4 FT #SUB 134 131 ALA D 59 56 ASP E Protein B 2 FT #SUB 135 132 THR D 10 7 PHE E Protein S 1 FT #SUB 137 134 THR D 10 7 PHE E Protein S 1 FT #SUB 137 134 THR D 12 9 VAL E Protein B 3 FT #SUB 138 135 GLU D 12 9 VAL E Protein S 3 FT #SUB 138 135 GLU D 13 10 HIS E Protein S 8 FT #SUB 138 135 GLU D 35 32 LEU E Protein S 1 FT #SUB 140 137 LEU D 12 9 VAL E Protein S 1 FT #SUB 140 137 LEU D 14 11 ALA E Protein S 3 FT #SUB 140 137 LEU D 142 139 PHE E Protein S 4 FT #SUB 140 137 LEU D 147 144 GLU E Protein S 3 FT #SUB 140 137 LEU D 148 145 GLY E Protein S 1 FT #SUB 141 138 GLY D 142 139 PHE E Protein B 3 FT #SUB 152 149 GLU D 8 5 HIS E Protein S 7 FT #SUB 152 149 GLU D 152 149 GLU E Protein S 5 FT #SUB 154 151 VAL D 6 3 ILE E Protein S 3 FT #SUB 154 151 VAL D 8 5 HIS E Protein S 2 FT #SUB 155 152 ALA D 6 3 ILE E Protein B 1 FT #SUB 156 153 LEU D 4 1 MET E Protein S 1 FT #SUB 156 153 LEU D 6 3 ILE E Protein A 2 FT #SUB 4 1 MET D 156 153 LEU F Protein B 2 FT #SUB 5 2 ARG D 96 93 ASN F Protein A 8 FT #SUB 5 2 ARG D 128 125 ASP F Protein S 5 FT #SUB 5 2 ARG D 129 126 GLU F Protein S 1 FT #SUB 6 3 ILE D 6 3 ILE F Protein S 2 FT #SUB 6 3 ILE D 96 93 ASN F Protein A 12 FT #SUB 6 3 ILE D 98 95 ASP F Protein B 1 FT #SUB 6 3 ILE D 154 151 VAL F Protein S 2 FT #SUB 6 3 ILE D 156 153 LEU F Protein S 2 FT #SUB 7 4 GLY D 98 95 ASP F Protein B 2 FT #SUB 8 5 HIS D 98 95 ASP F Protein B 5 FT #SUB 8 5 HIS D 100 97 THR F Protein A 2 FT #SUB 8 5 HIS D 133 130 LYS F Protein B 3 FT #SUB 8 5 HIS D 152 149 GLU F Protein S 3 FT #SUB 8 5 HIS D 154 151 VAL F Protein S 2 FT #SUB 10 7 PHE D 102 99 ILE F Protein S 3 FT #SUB 10 7 PHE D 135 132 THR F Protein A 2 FT #SUB 11 8 ASP D 135 132 THR F Protein S 1 FT #SUB 12 9 VAL D 137 134 THR F Protein S 4 FT #SUB 12 9 VAL D 138 135 GLU F Protein B 1 FT #SUB 13 10 HIS D 138 135 GLU F Protein S 1 FT #SUB 14 11 ALA D 140 137 LEU F Protein A 2 FT #SUB 49 46 ASP D 133 130 LYS F Protein B 2 FT #SUB 53 50 GLY D 98 95 ASP F Protein B 5 FT #SUB 53 50 GLY D 131 128 ASN F Protein B 4 FT #SUB 54 51 ALA D 96 93 ASN F Protein B 1 FT #SUB 56 53 ALA D 128 125 ASP F Protein S 1 FT #SUB 56 53 ALA D 131 128 ASN F Protein B 5 FT #SUB 57 54 LEU D 131 128 ASN F Protein B 1 FT #SUB 58 55 GLY D 131 128 ASN F Protein B 10 FT #SUB 58 55 GLY D 133 130 LYS F Protein B 2 FT #SUB 59 56 ASP D 133 130 LYS F Protein S 5 FT #SUB 59 56 ASP D 134 131 ALA F Protein S 2 FT #SUB 90 87 LYS D 128 125 ASP F Protein S 2 FT #SUB 142 139 PHE D 140 137 LEU F Protein S 4 FT #SUB 142 139 PHE D 141 138 GLY F Protein S 2 FT #SUB 147 144 GLU D 140 137 LEU F Protein A 2 FT #SUB 152 149 GLU D 152 149 GLU F Protein S 4 FT #HET 11 8 ASP D 21 301 ZN D S 3 FT #HET 11 8 ASP D 22 302 MG D S 2 FT #HET 13 10 HIS D 21 301 ZN D S 3 FT #HET 45 42 HIS D 21 301 ZN D S 4 FT #HET 59 56 ASP D 34 401 CTN F S 7 FT #HET 61 58 GLY D 34 401 CTN F B 4 FT #HET 62 59 LYS D 34 401 CTN F B 1 FT #HET 66 63 ASP D 34 401 CTN F S 1 FT #HET 103 100 ALA D 24 401 CTN D B 4 FT #HET 104 101 GLN D 24 401 CTN D B 1 FT #HET 106 103 PRO D 24 401 CTN D B 2 FT #HET 107 104 LYS D 24 401 CTN D B 1 FT #HET 108 105 MET D 24 401 CTN D A 4 FT #HET 109 106 LEU D 24 401 CTN D A 5 FT #HET 134 131 ALA D 24 401 CTN D A 15 FT #HET 135 132 THR D 24 401 CTN D B 4 FT #HET 135 132 THR D 28 302 MG E S 1 FT #HET 136 133 THR D 24 401 CTN D A 2 FT #HET 140 137 LEU D 26 162 EDO D S 1 FT #HET 141 138 GLY D 30 160 POP E B 2 FT #HET 142 139 PHE D 25 161 EDO D S 5 FT #HET 142 139 PHE D 30 160 POP E A 4 FT #HET 143 140 THR D 25 161 EDO D A 4 FT #HET 145 142 ARG D 30 160 POP E S 6 FT #HET 152 149 GLU D 23 160 MG D S 3 FT DISORDER 1 2 FT DISORDER 160 162 CC SEQUENCE 157 AA (ATOM); CC AMRIGHGFDV HAFGGEGPII IGGVRIPYEK GLLAHSDGDV ALHALTDALL GAAALGDIGK CC LFPDTDPAFK GADSRELLRE AWRRIQAKGY TLGNVDVTII AQAPKMLPHI PQMRVFIAED CC LGCHMDEVNV KATTTEKLGF TGRGEGIACE AVALLMK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ATOM --AMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ************************************************ CC SEQRES LLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVT CC ATOM LLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVT CC ************************************************** CC SEQRES IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ATOM IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ************************************************** CC SEQRES CEAVALLMKAAK CC ATOM CEAVALLMK--- CC ********* SQ SEQUENCE 162 AA; MW; CN; SNAMRIGHGF DVHAFGGEGP IIIGGVRIPY EKGLLAHSDG DVALHALTDA LLGAAALGDI GKLFPDTDPA FKGADSRELL REAWRRIQAK GYTLGNVDVT IIAQAPKMLP HIPQMRVFIA EDLGCHMDEV NVKATTTEKL GFTGRGEGIA CEAVALLMKA AK // ID 3T80E STANDARD; PRT; 162 AA. DT CONVERTED FROM PDB (SEQRES) 3T80 DE 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase OS Salmonella enterica subsp. enterica serovar Typhimurium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.212 FT #SUB 4 1 MET E 156 153 LEU D Protein B 1 FT #SUB 5 2 ARG E 96 93 ASN D Protein A 9 FT #SUB 5 2 ARG E 128 125 ASP D Protein S 5 FT #SUB 5 2 ARG E 129 126 GLU D Protein S 3 FT #SUB 6 3 ILE E 6 3 ILE D Protein S 2 FT #SUB 6 3 ILE E 96 93 ASN D Protein A 13 FT #SUB 6 3 ILE E 98 95 ASP D Protein B 1 FT #SUB 6 3 ILE E 154 151 VAL D Protein S 3 FT #SUB 6 3 ILE E 155 152 ALA D Protein S 1 FT #SUB 6 3 ILE E 156 153 LEU D Protein S 2 FT #SUB 7 4 GLY E 98 95 ASP D Protein B 2 FT #SUB 8 5 HIS E 98 95 ASP D Protein B 5 FT #SUB 8 5 HIS E 100 97 THR D Protein A 2 FT #SUB 8 5 HIS E 133 130 LYS D Protein B 2 FT #SUB 8 5 HIS E 152 149 GLU D Protein S 7 FT #SUB 8 5 HIS E 154 151 VAL D Protein S 2 FT #SUB 10 7 PHE E 135 132 THR D Protein S 1 FT #SUB 10 7 PHE E 137 134 THR D Protein S 1 FT #SUB 12 9 VAL E 137 134 THR D Protein S 3 FT #SUB 12 9 VAL E 138 135 GLU D Protein B 3 FT #SUB 12 9 VAL E 140 137 LEU D Protein S 1 FT #SUB 13 10 HIS E 138 135 GLU D Protein A 8 FT #SUB 14 11 ALA E 140 137 LEU D Protein A 3 FT #SUB 35 32 LEU E 138 135 GLU D Protein B 1 FT #SUB 53 50 GLY E 98 95 ASP D Protein B 6 FT #SUB 53 50 GLY E 131 128 ASN D Protein B 5 FT #SUB 54 51 ALA E 96 93 ASN D Protein B 1 FT #SUB 56 53 ALA E 128 125 ASP D Protein S 3 FT #SUB 56 53 ALA E 131 128 ASN D Protein B 5 FT #SUB 57 54 LEU E 131 128 ASN D Protein B 2 FT #SUB 58 55 GLY E 131 128 ASN D Protein B 10 FT #SUB 58 55 GLY E 133 130 LYS D Protein B 3 FT #SUB 59 56 ASP E 133 130 LYS D Protein S 4 FT #SUB 59 56 ASP E 134 131 ALA D Protein S 2 FT #SUB 90 87 LYS E 128 125 ASP D Protein S 3 FT #SUB 142 139 PHE E 140 137 LEU D Protein S 4 FT #SUB 142 139 PHE E 141 138 GLY D Protein S 3 FT #SUB 147 144 GLU E 140 137 LEU D Protein A 3 FT #SUB 148 145 GLY E 140 137 LEU D Protein B 1 FT #SUB 152 149 GLU E 152 149 GLU D Protein S 5 FT #SUB 4 1 MET E 4 1 MET F Protein S 1 FT #SUB 6 3 ILE E 6 3 ILE F Protein S 2 FT #SUB 96 93 ASN E 5 2 ARG F Protein S 5 FT #SUB 96 93 ASN E 6 3 ILE F Protein S 12 FT #SUB 96 93 ASN E 54 51 ALA F Protein S 1 FT #SUB 98 95 ASP E 7 4 GLY F Protein S 2 FT #SUB 98 95 ASP E 8 5 HIS F Protein S 6 FT #SUB 98 95 ASP E 53 50 GLY F Protein S 3 FT #SUB 100 97 THR E 8 5 HIS F Protein S 1 FT #SUB 128 125 ASP E 5 2 ARG F Protein A 6 FT #SUB 128 125 ASP E 56 53 ALA F Protein A 3 FT #SUB 128 125 ASP E 90 87 LYS F Protein S 1 FT #SUB 129 126 GLU E 5 2 ARG F Protein A 2 FT #SUB 131 128 ASN E 53 50 GLY F Protein S 4 FT #SUB 131 128 ASN E 56 53 ALA F Protein S 3 FT #SUB 131 128 ASN E 57 54 LEU F Protein S 1 FT #SUB 131 128 ASN E 58 55 GLY F Protein S 10 FT #SUB 133 130 LYS E 8 5 HIS F Protein S 3 FT #SUB 133 130 LYS E 58 55 GLY F Protein S 2 FT #SUB 133 130 LYS E 59 56 ASP F Protein S 1 FT #SUB 138 135 GLU E 12 9 VAL F Protein S 3 FT #SUB 138 135 GLU E 13 10 HIS F Protein S 8 FT #SUB 138 135 GLU E 35 32 LEU F Protein S 1 FT #SUB 140 137 LEU E 12 9 VAL F Protein S 1 FT #SUB 140 137 LEU E 13 10 HIS F Protein S 1 FT #SUB 140 137 LEU E 14 11 ALA F Protein S 2 FT #SUB 140 137 LEU E 142 139 PHE F Protein S 5 FT #SUB 140 137 LEU E 147 144 GLU F Protein S 2 FT #SUB 140 137 LEU E 148 145 GLY F Protein S 1 FT #SUB 141 138 GLY E 142 139 PHE F Protein B 2 FT #SUB 152 149 GLU E 8 5 HIS F Protein S 4 FT #SUB 152 149 GLU E 152 149 GLU F Protein S 7 FT #SUB 154 151 VAL E 6 3 ILE F Protein S 2 FT #SUB 154 151 VAL E 8 5 HIS F Protein S 2 FT #SUB 156 153 LEU E 4 1 MET F Protein S 2 FT #SUB 156 153 LEU E 6 3 ILE F Protein A 2 FT #HET 11 8 ASP E 27 301 ZN E S 3 FT #HET 11 8 ASP E 28 302 MG E S 2 FT #HET 13 10 HIS E 27 301 ZN E S 3 FT #HET 45 42 HIS E 27 301 ZN E S 4 FT #HET 59 56 ASP E 24 401 CTN D S 9 FT #HET 61 58 GLY E 24 401 CTN D B 7 FT #HET 62 59 LYS E 24 401 CTN D B 1 FT #HET 103 100 ALA E 29 401 CTN E A 5 FT #HET 106 103 PRO E 29 401 CTN E B 1 FT #HET 107 104 LYS E 29 401 CTN E B 2 FT #HET 108 105 MET E 29 401 CTN E A 10 FT #HET 109 106 LEU E 29 401 CTN E A 4 FT #HET 134 131 ALA E 29 401 CTN E A 7 FT #HET 135 132 THR E 29 401 CTN E B 6 FT #HET 135 132 THR E 33 302 MG F S 1 FT #HET 136 133 THR E 29 401 CTN E S 1 FT #HET 138 135 GLU E 32 301 ZN F S 1 FT #HET 139 136 LYS E 36 161 EDO F B 1 FT #HET 140 137 LEU E 36 161 EDO F S 2 FT #HET 141 138 GLY E 30 160 POP E B 4 FT #HET 142 139 PHE E 30 160 POP E A 10 FT #HET 142 139 PHE E 31 161 EDO E S 2 FT #HET 143 140 THR E 31 161 EDO E S 1 FT #HET 145 142 ARG E 30 160 POP E S 7 FT #HET 147 144 GLU E 26 162 EDO D S 3 FT #HET 150 147 ALA E 31 161 EDO E S 1 FT #HET 152 149 GLU E 23 160 MG D S 4 FT DISORDER 1 2 FT DISORDER 160 162 CC SEQUENCE 157 AA (ATOM); CC AMRIGHGFDV HAFGGEGPII IGGVRIPYEK GLLAHSDGDV ALHALTDALL GAAALGDIGK CC LFPDTDPAFK GADSRELLRE AWRRIQAKGY TLGNVDVTII AQAPKMLPHI PQMRVFIAED CC LGCHMDEVNV KATTTEKLGF TGRGEGIACE AVALLMK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ATOM --AMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ************************************************ CC SEQRES LLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVT CC ATOM LLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVT CC ************************************************** CC SEQRES IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ATOM IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ************************************************** CC SEQRES CEAVALLMKAAK CC ATOM CEAVALLMK--- CC ********* SQ SEQUENCE 162 AA; MW; CN; SNAMRIGHGF DVHAFGGEGP IIIGGVRIPY EKGLLAHSDG DVALHALTDA LLGAAALGDI GKLFPDTDPA FKGADSRELL REAWRRIQAK GYTLGNVDVT IIAQAPKMLP HIPQMRVFIA EDLGCHMDEV NVKATTTEKL GFTGRGEGIA CEAVALLMKA AK // ID 3T80F STANDARD; PRT; 162 AA. DT CONVERTED FROM PDB (SEQRES) 3T80 DE 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase OS Salmonella enterica subsp. enterica serovar Typhimurium CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.500 CC R-Factor 0.212 FT #SUB 25 22 GLY F 114 111 GLN A Protein B 1 FT #SUB 26 23 VAL F 114 111 GLN A Protein B 2 FT #SUB 27 24 ARG F 113 110 PRO A Protein S 1 FT #SUB 27 24 ARG F 114 111 GLN A Protein A 3 FT #SUB 27 24 ARG F 117 114 VAL A Protein S 1 FT #SUB 27 24 ARG F 127 124 MET A Protein S 3 FT #SUB 29 26 PRO F 110 107 PRO A Protein S 2 FT #SUB 110 107 PRO F 29 26 PRO A Protein B 2 FT #SUB 110 107 PRO F 111 108 HIS A Protein A 5 FT #SUB 111 108 HIS F 110 107 PRO A Protein S 4 FT #SUB 111 108 HIS F 111 108 HIS A Protein S 1 FT #SUB 114 111 GLN F 25 22 GLY A Protein S 1 FT #SUB 114 111 GLN F 26 23 VAL A Protein S 2 FT #SUB 114 111 GLN F 27 24 ARG A Protein S 3 FT #SUB 114 111 GLN F 118 115 PHE A Protein S 1 FT #SUB 117 114 VAL F 27 24 ARG A Protein S 1 FT #SUB 118 115 PHE F 114 111 GLN A Protein S 1 FT #SUB 118 115 PHE F 118 115 PHE A Protein S 4 FT #SUB 127 124 MET F 27 24 ARG A Protein S 3 FT #SUB 6 3 ILE F 6 3 ILE D Protein S 2 FT #SUB 96 93 ASN F 5 2 ARG D Protein S 8 FT #SUB 96 93 ASN F 6 3 ILE D Protein S 12 FT #SUB 96 93 ASN F 54 51 ALA D Protein S 1 FT #SUB 98 95 ASP F 6 3 ILE D Protein S 1 FT #SUB 98 95 ASP F 7 4 GLY D Protein S 2 FT #SUB 98 95 ASP F 8 5 HIS D Protein S 5 FT #SUB 98 95 ASP F 53 50 GLY D Protein S 5 FT #SUB 100 97 THR F 8 5 HIS D Protein S 2 FT #SUB 102 99 ILE F 10 7 PHE D Protein S 3 FT #SUB 128 125 ASP F 5 2 ARG D Protein A 5 FT #SUB 128 125 ASP F 56 53 ALA D Protein B 1 FT #SUB 128 125 ASP F 90 87 LYS D Protein S 2 FT #SUB 129 126 GLU F 5 2 ARG D Protein B 1 FT #SUB 131 128 ASN F 53 50 GLY D Protein S 4 FT #SUB 131 128 ASN F 56 53 ALA D Protein S 5 FT #SUB 131 128 ASN F 57 54 LEU D Protein S 1 FT #SUB 131 128 ASN F 58 55 GLY D Protein S 10 FT #SUB 133 130 LYS F 8 5 HIS D Protein S 3 FT #SUB 133 130 LYS F 49 46 ASP D Protein S 2 FT #SUB 133 130 LYS F 58 55 GLY D Protein S 2 FT #SUB 133 130 LYS F 59 56 ASP D Protein A 5 FT #SUB 134 131 ALA F 59 56 ASP D Protein B 2 FT #SUB 135 132 THR F 10 7 PHE D Protein S 2 FT #SUB 135 132 THR F 11 8 ASP D Protein S 1 FT #SUB 137 134 THR F 12 9 VAL D Protein B 4 FT #SUB 138 135 GLU F 12 9 VAL D Protein S 1 FT #SUB 138 135 GLU F 13 10 HIS D Protein S 1 FT #SUB 140 137 LEU F 14 11 ALA D Protein S 2 FT #SUB 140 137 LEU F 142 139 PHE D Protein S 4 FT #SUB 140 137 LEU F 147 144 GLU D Protein S 2 FT #SUB 141 138 GLY F 142 139 PHE D Protein B 2 FT #SUB 152 149 GLU F 8 5 HIS D Protein S 3 FT #SUB 152 149 GLU F 152 149 GLU D Protein S 4 FT #SUB 154 151 VAL F 6 3 ILE D Protein S 2 FT #SUB 154 151 VAL F 8 5 HIS D Protein S 2 FT #SUB 156 153 LEU F 4 1 MET D Protein S 2 FT #SUB 156 153 LEU F 6 3 ILE D Protein A 2 FT #SUB 4 1 MET F 4 1 MET E Protein S 1 FT #SUB 4 1 MET F 156 153 LEU E Protein B 2 FT #SUB 5 2 ARG F 96 93 ASN E Protein A 5 FT #SUB 5 2 ARG F 128 125 ASP E Protein S 6 FT #SUB 5 2 ARG F 129 126 GLU E Protein S 2 FT #SUB 6 3 ILE F 6 3 ILE E Protein S 2 FT #SUB 6 3 ILE F 96 93 ASN E Protein A 12 FT #SUB 6 3 ILE F 154 151 VAL E Protein S 2 FT #SUB 6 3 ILE F 156 153 LEU E Protein S 2 FT #SUB 7 4 GLY F 98 95 ASP E Protein B 2 FT #SUB 8 5 HIS F 98 95 ASP E Protein A 6 FT #SUB 8 5 HIS F 100 97 THR E Protein B 1 FT #SUB 8 5 HIS F 133 130 LYS E Protein B 3 FT #SUB 8 5 HIS F 152 149 GLU E Protein S 4 FT #SUB 8 5 HIS F 154 151 VAL E Protein S 2 FT #SUB 12 9 VAL F 138 135 GLU E Protein B 3 FT #SUB 12 9 VAL F 140 137 LEU E Protein S 1 FT #SUB 13 10 HIS F 138 135 GLU E Protein A 8 FT #SUB 13 10 HIS F 140 137 LEU E Protein B 1 FT #SUB 14 11 ALA F 140 137 LEU E Protein A 2 FT #SUB 35 32 LEU F 138 135 GLU E Protein B 1 FT #SUB 53 50 GLY F 98 95 ASP E Protein B 3 FT #SUB 53 50 GLY F 131 128 ASN E Protein B 4 FT #SUB 54 51 ALA F 96 93 ASN E Protein B 1 FT #SUB 56 53 ALA F 128 125 ASP E Protein S 3 FT #SUB 56 53 ALA F 131 128 ASN E Protein B 3 FT #SUB 57 54 LEU F 131 128 ASN E Protein B 1 FT #SUB 58 55 GLY F 131 128 ASN E Protein B 10 FT #SUB 58 55 GLY F 133 130 LYS E Protein B 2 FT #SUB 59 56 ASP F 133 130 LYS E Protein S 1 FT #SUB 90 87 LYS F 128 125 ASP E Protein S 1 FT #SUB 142 139 PHE F 140 137 LEU E Protein S 5 FT #SUB 142 139 PHE F 141 138 GLY E Protein S 2 FT #SUB 147 144 GLU F 140 137 LEU E Protein A 2 FT #SUB 148 145 GLY F 140 137 LEU E Protein B 1 FT #SUB 152 149 GLU F 152 149 GLU E Protein S 7 FT #HET 11 8 ASP F 32 301 ZN F S 3 FT #HET 11 8 ASP F 33 302 MG F S 3 FT #HET 12 9 VAL F 32 301 ZN F B 1 FT #HET 13 10 HIS F 32 301 ZN F S 5 FT #HET 45 42 HIS F 32 301 ZN F S 2 FT #HET 59 56 ASP F 29 401 CTN E S 3 FT #HET 102 99 ILE F 35 160 EDO F S 1 FT #HET 103 100 ALA F 34 401 CTN F A 5 FT #HET 106 103 PRO F 34 401 CTN F B 3 FT #HET 107 104 LYS F 34 401 CTN F A 5 FT #HET 108 105 MET F 34 401 CTN F A 11 FT #HET 109 106 LEU F 34 401 CTN F A 5 FT #HET 134 131 ALA F 34 401 CTN F A 17 FT #HET 135 132 THR F 22 302 MG D S 1 FT #HET 135 132 THR F 34 401 CTN F B 6 FT #HET 136 133 THR F 34 401 CTN F A 2 FT #HET 141 138 GLY F 30 160 POP E B 2 FT #HET 142 139 PHE F 30 160 POP E A 4 FT #HET 142 139 PHE F 35 160 EDO F S 2 FT #HET 143 140 THR F 35 160 EDO F S 1 FT #HET 145 142 ARG F 30 160 POP E S 8 FT #HET 152 149 GLU F 23 160 MG D S 4 FT DISORDER 1 2 FT DISORDER 64 74 FT DISORDER 160 162 CC SEQUENCE 146 AA (ATOM); CC AMRIGHGFDV HAFGGEGPII IGGVRIPYEK GLLAHSDGDV ALHALTDALL GAAALGDIGK CC LDSRELLREA WRRIQAKGYT LGNVDVTIIA QAPKMLPHIP QMRVFIAEDL GCHMDEVNVK CC ATTTEKLGFT GRGEGIACEA VALLMK CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES SNAMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ATOM --AMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDA CC ************************************************ CC SEQRES LLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVT CC ATOM LLGAAALGDIGKL-----------DSRELLREAWRRIQAKGYTLGNVDVT CC ************* ************************** CC SEQRES IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ATOM IIAQAPKMLPHIPQMRVFIAEDLGCHMDEVNVKATTTEKLGFTGRGEGIA CC ************************************************** CC SEQRES CEAVALLMKAAK CC ATOM CEAVALLMK--- CC ********* SQ SEQUENCE 162 AA; MW; CN; SNAMRIGHGF DVHAFGGEGP IIIGGVRIPY EKGLLAHSDG DVALHALTDA LLGAAALGDI GKLFPDTDPA FKGADSRELL REAWRRIQAK GYTLGNVDVT IIAQAPKMLP HIPQMRVFIA EDLGCHMDEV NVKATTTEKL GFTGRGEGIA CEAVALLMKA AK //