ID 2VF0A STANDARD; PRT; 264 AA. DT CONVERTED FROM PDB (SEQRES) 2VF0 DE THYMIDYLATE SYNTHASE OS ESCHERICHIA COLI CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.000 CC R-Factor 0.180 FT #SUB 16 16 THR A 156 156 ASP B Protein S 2 FT #SUB 18 18 LYS A 124 124 ASP B Protein S 4 FT #SUB 18 18 LYS A 153 153 TYR B Protein S 3 FT #SUB 18 18 LYS A 154 154 VAL B Protein S 3 FT #SUB 19 19 ASN A 124 124 ASP B Protein B 4 FT #SUB 20 20 ASP A 126 126 ARG B Protein S 4 FT #SUB 21 21 ARG A 127 127 ARG B Protein S 1 FT #SUB 28 28 SER A 153 153 TYR B Protein A 6 FT #SUB 29 29 ILE A 153 153 TYR B Protein B 2 FT #SUB 30 30 PHE A 35 35 ARG B Protein B 4 FT #SUB 30 30 PHE A 151 151 GLN B Protein S 3 FT #SUB 30 30 PHE A 153 153 TYR B Protein S 16 FT #SUB 30 30 PHE A 161 161 CYS B Protein S 1 FT #SUB 30 30 PHE A 162 162 GLN B Protein S 6 FT #SUB 31 31 GLY A 33 33 GLN B Protein B 2 FT #SUB 31 31 GLY A 35 35 ARG B Protein B 3 FT #SUB 31 31 GLY A 162 162 GLN B Protein B 1 FT #SUB 32 32 HIS A 33 33 GLN B Protein B 6 FT #SUB 33 33 GLN A 32 32 HIS B Protein S 6 FT #SUB 33 33 GLN A 33 33 GLN B Protein A 8 FT #SUB 33 33 GLN A 202 202 THR B Protein S 1 FT #SUB 35 35 ARG A 30 30 PHE B Protein S 4 FT #SUB 35 35 ARG A 31 31 GLY B Protein S 3 FT #SUB 101 101 TRP A 101 101 TRP B Protein S 3 FT #SUB 101 101 TRP A 133 133 TRP B Protein S 1 FT #SUB 101 101 TRP A 134 134 ASN B Protein S 2 FT #SUB 101 101 TRP A 135 135 VAL B Protein S 5 FT #SUB 101 101 TRP A 136 136 GLY B Protein S 3 FT #SUB 103 103 THR A 104 104 PRO B Protein B 2 FT #SUB 103 103 THR A 136 136 GLY B Protein S 3 FT #SUB 104 104 PRO A 104 104 PRO B Protein B 1 FT #SUB 104 104 PRO A 136 136 GLY B Protein S 1 FT #SUB 107 107 ARG A 136 136 GLY B Protein S 2 FT #SUB 107 107 ARG A 139 139 ASP B Protein S 1 FT #SUB 109 109 ILE A 135 135 VAL B Protein S 2 FT #SUB 111 111 GLN A 135 135 VAL B Protein S 2 FT #SUB 124 124 ASP A 18 18 LYS B Protein A 2 FT #SUB 124 124 ASP A 19 19 ASN B Protein S 3 FT #SUB 126 126 ARG A 20 20 ASP B Protein S 2 FT #SUB 126 126 ARG A 166 166 ARG B Protein A 5 FT #SUB 126 126 ARG A 167 167 SER B Protein S 3 FT #SUB 126 126 ARG A 205 205 ASP B Protein S 8 FT #SUB 126 126 ARG A 207 207 HIS B Protein S 5 FT #SUB 126 126 ARG A 209 209 TYR B Protein S 3 FT #SUB 127 127 ARG A 143 143 LEU B Protein S 1 FT #SUB 127 127 ARG A 144 144 ALA B Protein S 4 FT #SUB 129 129 ILE A 133 133 TRP B Protein S 5 FT #SUB 129 129 ILE A 166 166 ARG B Protein S 2 FT #SUB 131 131 SER A 133 133 TRP B Protein S 1 FT #SUB 133 133 TRP A 149 149 PHE B Protein S 1 FT #SUB 134 134 ASN A 101 101 TRP B Protein S 2 FT #SUB 135 135 VAL A 101 101 TRP B Protein A 8 FT #SUB 135 135 VAL A 111 111 GLN B Protein S 2 FT #SUB 136 136 GLY A 101 101 TRP B Protein B 2 FT #SUB 144 144 ALA A 127 127 ARG B Protein A 2 FT #SUB 149 149 PHE A 133 133 TRP B Protein S 3 FT #SUB 149 149 PHE A 149 149 PHE B Protein S 1 FT #SUB 149 149 PHE A 164 164 TYR B Protein S 2 FT #SUB 151 151 GLN A 30 30 PHE B Protein A 4 FT #SUB 151 151 GLN A 164 164 TYR B Protein S 5 FT #SUB 151 151 GLN A 166 166 ARG B Protein S 5 FT #SUB 151 151 GLN A 204 204 GLY B Protein S 1 FT #SUB 153 153 TYR A 18 18 LYS B Protein S 5 FT #SUB 153 153 TYR A 28 28 SER B Protein S 6 FT #SUB 153 153 TYR A 29 29 ILE B Protein S 1 FT #SUB 153 153 TYR A 30 30 PHE B Protein S 13 FT #SUB 153 153 TYR A 205 205 ASP B Protein S 3 FT #SUB 154 154 VAL A 18 18 LYS B Protein B 1 FT #SUB 156 156 ASP A 16 16 THR B Protein S 1 FT #SUB 161 161 CYS A 30 30 PHE B Protein B 1 FT #SUB 162 162 GLN A 30 30 PHE B Protein A 4 FT #SUB 162 162 GLN A 164 164 TYR B Protein S 6 FT #SUB 162 162 GLN A 202 202 THR B Protein S 1 FT #SUB 162 162 GLN A 203 203 GLY B Protein S 2 FT #SUB 162 162 GLN A 204 204 GLY B Protein S 1 FT #SUB 164 164 TYR A 149 149 PHE B Protein S 2 FT #SUB 164 164 TYR A 151 151 GLN B Protein S 5 FT #SUB 164 164 TYR A 162 162 GLN B Protein S 7 FT #SUB 166 166 ARG A 126 126 ARG B Protein S 6 FT #SUB 166 166 ARG A 127 127 ARG B Protein S 2 FT #SUB 166 166 ARG A 129 129 ILE B Protein S 2 FT #SUB 166 166 ARG A 151 151 GLN B Protein A 7 FT #SUB 167 167 SER A 126 126 ARG B Protein S 1 FT #SUB 202 202 THR A 162 162 GLN B Protein S 1 FT #SUB 202 202 THR A 202 202 THR B Protein S 3 FT #SUB 203 203 GLY A 162 162 GLN B Protein B 4 FT #SUB 204 204 GLY A 151 151 GLN B Protein B 1 FT #SUB 204 204 GLY A 162 162 GLN B Protein B 1 FT #SUB 205 205 ASP A 126 126 ARG B Protein S 1 FT #SUB 205 205 ASP A 153 153 TYR B Protein S 3 FT #SUB 207 207 HIS A 126 126 ARG B Protein S 3 FT #SUB 209 209 TYR A 126 126 ARG B Protein S 4 FT #HET 21 21 ARG A 1 1265 NDU A S 13 FT #HET 54 54 SER A 2 1266 F89 A S 4 FT #HET 58 58 GLU A 2 1266 F89 A S 4 FT #HET 78 78 THR A 2 1266 F89 A A 11 FT #HET 79 79 ILE A 2 1266 F89 A A 12 FT #HET 80 80 TRP A 1 1265 NDU A S 3 FT #HET 80 80 TRP A 2 1266 F89 A S 4 FT #HET 83 83 TRP A 2 1266 F89 A S 6 FT #HET 94 94 TYR A 1 1265 NDU A S 5 FT #HET 126 126 ARG A 3 1265 NDU B S 12 FT #HET 127 127 ARG A 3 1265 NDU B S 5 FT #HET 143 143 LEU A 1 1265 NDU A S 1 FT #HET 143 143 LEU A 2 1266 F89 A S 2 FT #HET 146 146 CYS A 1 1265 NDU A S 14 FT #HET 147 147 HIS A 1 1265 NDU A S 4 FT #HET 165 165 GLN A 1 1265 NDU A S 3 FT #HET 166 166 ARG A 1 1265 NDU A S 9 FT #HET 167 167 SER A 1 1265 NDU A A 10 FT #HET 168 168 CYS A 1 1265 NDU A B 4 FT #HET 169 169 ASP A 1 1265 NDU A A 5 FT #HET 169 169 ASP A 2 1266 F89 A S 9 FT #HET 172 172 LEU A 2 1266 F89 A A 2 FT #HET 173 173 GLY A 1 1265 NDU A B 1 FT #HET 173 173 GLY A 2 1266 F89 A B 2 FT #HET 176 176 PHE A 2 1266 F89 A S 17 FT #HET 177 177 ASN A 1 1265 NDU A S 7 FT #HET 177 177 ASN A 2 1266 F89 A S 1 FT #HET 207 207 HIS A 1 1265 NDU A S 7 FT #HET 209 209 TYR A 1 1265 NDU A S 4 FT #HET 209 209 TYR A 2 1266 F89 A S 2 FT #HET 262 262 VAL A 2 1266 F89 A S 1 FT #HET 263 263 ALA A 2 1266 F89 A A 3 CC SEQUENCE 264 AA (ATOM); CC XKQYLELMQK VLDEGTQKND RTGTGTLSIF GHQMRFNLQD GFPLVTTQRC HLRSIIHELL CC WFLQGDTNIA YLHENNVTIW DEWADENGDL GPVYGKQWRA WPTPDGRHID QITTVLNQLK CC NDPDSRRIIV SAWNVGELDK MALAPCHAFF QFYVADGKLS CQLYQRSCDV FLGLPFNIAS CC YALLVHMMAQ QCDLEVGDFV WTGGDTHLYS NHMDQTHLQL SREPRPLPKL IIKRKPESIF CC DYRFEDFEIE GYDPHPGIKA PVAI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTQRC CC ATOM XKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTQRC CC ************************************************** CC SEQRES HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA CC ATOM HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA CC ************************************************** CC SEQRES WPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFF CC ATOM WPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFF CC ************************************************** CC SEQRES QFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFV CC ATOM QFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFV CC ************************************************** CC SEQRES WTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIE CC ATOM WTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIE CC ************************************************** CC SEQRES GYDPHPGIKAPVAI CC ATOM GYDPHPGIKAPVAI CC ************** SQ SEQUENCE 264 AA; MW; CN; XKQYLELMQK VLDEGTQKND RTGTGTLSIF GHQMRFNLQD GFPLVTTQRC HLRSIIHELL WFLQGDTNIA YLHENNVTIW DEWADENGDL GPVYGKQWRA WPTPDGRHID QITTVLNQLK NDPDSRRIIV SAWNVGELDK MALAPCHAFF QFYVADGKLS CQLYQRSCDV FLGLPFNIAS YALLVHMMAQ QCDLEVGDFV WTGGDTHLYS NHMDQTHLQL SREPRPLPKL IIKRKPESIF DYRFEDFEIE GYDPHPGIKA PVAI // ID 2VF0B STANDARD; PRT; 264 AA. DT CONVERTED FROM PDB (SEQRES) 2VF0 DE THYMIDYLATE SYNTHASE OS ESCHERICHIA COLI CC EXPDTA X-RAY DIFFRACTION CC RESOLU 3.000 CC R-Factor 0.180 FT #SUB 16 16 THR B 156 156 ASP A Protein S 1 FT #SUB 18 18 LYS B 124 124 ASP A Protein S 2 FT #SUB 18 18 LYS B 153 153 TYR A Protein S 5 FT #SUB 18 18 LYS B 154 154 VAL A Protein S 1 FT #SUB 19 19 ASN B 124 124 ASP A Protein B 3 FT #SUB 20 20 ASP B 126 126 ARG A Protein S 2 FT #SUB 28 28 SER B 153 153 TYR A Protein A 6 FT #SUB 29 29 ILE B 153 153 TYR A Protein B 1 FT #SUB 30 30 PHE B 35 35 ARG A Protein B 4 FT #SUB 30 30 PHE B 151 151 GLN A Protein S 4 FT #SUB 30 30 PHE B 153 153 TYR A Protein S 13 FT #SUB 30 30 PHE B 161 161 CYS A Protein S 1 FT #SUB 30 30 PHE B 162 162 GLN A Protein S 4 FT #SUB 31 31 GLY B 35 35 ARG A Protein B 3 FT #SUB 32 32 HIS B 33 33 GLN A Protein B 6 FT #SUB 33 33 GLN B 31 31 GLY A Protein S 2 FT #SUB 33 33 GLN B 32 32 HIS A Protein S 6 FT #SUB 33 33 GLN B 33 33 GLN A Protein A 8 FT #SUB 35 35 ARG B 30 30 PHE A Protein S 4 FT #SUB 35 35 ARG B 31 31 GLY A Protein S 3 FT #SUB 101 101 TRP B 101 101 TRP A Protein S 3 FT #SUB 101 101 TRP B 134 134 ASN A Protein S 2 FT #SUB 101 101 TRP B 135 135 VAL A Protein S 8 FT #SUB 101 101 TRP B 136 136 GLY A Protein S 2 FT #SUB 104 104 PRO B 103 103 THR A Protein A 2 FT #SUB 104 104 PRO B 104 104 PRO A Protein B 1 FT #SUB 111 111 GLN B 135 135 VAL A Protein S 2 FT #SUB 124 124 ASP B 18 18 LYS A Protein A 4 FT #SUB 124 124 ASP B 19 19 ASN A Protein S 4 FT #SUB 126 126 ARG B 20 20 ASP A Protein S 4 FT #SUB 126 126 ARG B 166 166 ARG A Protein A 6 FT #SUB 126 126 ARG B 167 167 SER A Protein S 1 FT #SUB 126 126 ARG B 205 205 ASP A Protein S 1 FT #SUB 126 126 ARG B 207 207 HIS A Protein S 3 FT #SUB 126 126 ARG B 209 209 TYR A Protein S 4 FT #SUB 127 127 ARG B 21 21 ARG A Protein S 1 FT #SUB 127 127 ARG B 144 144 ALA A Protein S 2 FT #SUB 127 127 ARG B 166 166 ARG A Protein S 2 FT #SUB 129 129 ILE B 166 166 ARG A Protein S 2 FT #SUB 133 133 TRP B 101 101 TRP A Protein B 1 FT #SUB 133 133 TRP B 129 129 ILE A Protein S 5 FT #SUB 133 133 TRP B 131 131 SER A Protein S 1 FT #SUB 133 133 TRP B 149 149 PHE A Protein S 3 FT #SUB 134 134 ASN B 101 101 TRP A Protein S 2 FT #SUB 135 135 VAL B 101 101 TRP A Protein A 5 FT #SUB 135 135 VAL B 109 109 ILE A Protein A 2 FT #SUB 135 135 VAL B 111 111 GLN A Protein S 2 FT #SUB 136 136 GLY B 101 101 TRP A Protein B 3 FT #SUB 136 136 GLY B 103 103 THR A Protein B 3 FT #SUB 136 136 GLY B 104 104 PRO A Protein B 1 FT #SUB 136 136 GLY B 107 107 ARG A Protein B 2 FT #SUB 139 139 ASP B 107 107 ARG A Protein S 1 FT #SUB 143 143 LEU B 127 127 ARG A Protein S 1 FT #SUB 144 144 ALA B 127 127 ARG A Protein A 4 FT #SUB 149 149 PHE B 133 133 TRP A Protein S 1 FT #SUB 149 149 PHE B 149 149 PHE A Protein S 1 FT #SUB 149 149 PHE B 164 164 TYR A Protein S 2 FT #SUB 151 151 GLN B 30 30 PHE A Protein A 3 FT #SUB 151 151 GLN B 164 164 TYR A Protein S 5 FT #SUB 151 151 GLN B 166 166 ARG A Protein S 7 FT #SUB 151 151 GLN B 204 204 GLY A Protein S 1 FT #SUB 153 153 TYR B 18 18 LYS A Protein S 3 FT #SUB 153 153 TYR B 28 28 SER A Protein S 6 FT #SUB 153 153 TYR B 29 29 ILE A Protein S 2 FT #SUB 153 153 TYR B 30 30 PHE A Protein S 16 FT #SUB 153 153 TYR B 205 205 ASP A Protein S 3 FT #SUB 154 154 VAL B 18 18 LYS A Protein B 3 FT #SUB 156 156 ASP B 16 16 THR A Protein S 2 FT #SUB 161 161 CYS B 30 30 PHE A Protein B 1 FT #SUB 162 162 GLN B 30 30 PHE A Protein A 6 FT #SUB 162 162 GLN B 31 31 GLY A Protein S 1 FT #SUB 162 162 GLN B 164 164 TYR A Protein S 7 FT #SUB 162 162 GLN B 202 202 THR A Protein S 1 FT #SUB 162 162 GLN B 203 203 GLY A Protein S 4 FT #SUB 162 162 GLN B 204 204 GLY A Protein S 1 FT #SUB 164 164 TYR B 149 149 PHE A Protein S 2 FT #SUB 164 164 TYR B 151 151 GLN A Protein S 5 FT #SUB 164 164 TYR B 162 162 GLN A Protein S 6 FT #SUB 166 166 ARG B 126 126 ARG A Protein S 5 FT #SUB 166 166 ARG B 129 129 ILE A Protein S 2 FT #SUB 166 166 ARG B 151 151 GLN A Protein A 5 FT #SUB 167 167 SER B 126 126 ARG A Protein S 3 FT #SUB 202 202 THR B 33 33 GLN A Protein S 1 FT #SUB 202 202 THR B 162 162 GLN A Protein S 1 FT #SUB 202 202 THR B 202 202 THR A Protein S 3 FT #SUB 203 203 GLY B 162 162 GLN A Protein B 2 FT #SUB 204 204 GLY B 151 151 GLN A Protein B 1 FT #SUB 204 204 GLY B 162 162 GLN A Protein B 1 FT #SUB 205 205 ASP B 126 126 ARG A Protein S 8 FT #SUB 205 205 ASP B 153 153 TYR A Protein S 3 FT #SUB 207 207 HIS B 126 126 ARG A Protein S 5 FT #SUB 209 209 TYR B 126 126 ARG A Protein S 3 FT #HET 21 21 ARG B 3 1265 NDU B S 4 FT #HET 49 49 ARG B 4 1266 F89 B B 1 FT #HET 50 50 CYS B 4 1266 F89 B B 2 FT #HET 51 51 HIS B 4 1266 F89 B B 1 FT #HET 54 54 SER B 4 1266 F89 B S 8 FT #HET 58 58 GLU B 4 1266 F89 B S 3 FT #HET 79 79 ILE B 4 1266 F89 B S 7 FT #HET 80 80 TRP B 3 1265 NDU B S 5 FT #HET 80 80 TRP B 4 1266 F89 B S 3 FT #HET 83 83 TRP B 4 1266 F89 B S 5 FT #HET 94 94 TYR B 3 1265 NDU B S 6 FT #HET 107 107 ARG B 5 1268 SO4 B A 3 FT #HET 108 108 HIS B 5 1268 SO4 B A 12 FT #HET 126 126 ARG B 1 1265 NDU A S 17 FT #HET 127 127 ARG B 1 1265 NDU A S 6 FT #HET 143 143 LEU B 3 1265 NDU B S 1 FT #HET 146 146 CYS B 3 1265 NDU B S 16 FT #HET 147 147 HIS B 3 1265 NDU B S 2 FT #HET 165 165 GLN B 3 1265 NDU B S 3 FT #HET 166 166 ARG B 3 1265 NDU B S 6 FT #HET 167 167 SER B 3 1265 NDU B A 9 FT #HET 168 168 CYS B 3 1265 NDU B B 5 FT #HET 169 169 ASP B 3 1265 NDU B A 7 FT #HET 169 169 ASP B 4 1266 F89 B S 10 FT #HET 172 172 LEU B 4 1266 F89 B A 2 FT #HET 173 173 GLY B 4 1266 F89 B B 2 FT #HET 176 176 PHE B 4 1266 F89 B S 19 FT #HET 177 177 ASN B 3 1265 NDU B S 9 FT #HET 207 207 HIS B 3 1265 NDU B S 7 FT #HET 209 209 TYR B 3 1265 NDU B S 4 FT #HET 209 209 TYR B 4 1266 F89 B S 3 FT #HET 263 263 ALA B 4 1266 F89 B B 1 CC SEQUENCE 264 AA (ATOM); CC XKQYLELMQK VLDEGTQKND RTGTGTLSIF GHQMRFNLQD GFPLVTTQRC HLRSIIHELL CC WFLQGDTNIA YLHENNVTIW DEWADENGDL GPVYGKQWRA WPTPDGRHID QITTVLNQLK CC NDPDSRRIIV SAWNVGELDK MALAPCHAFF QFYVADGKLS CQLYQRSCDV FLGLPFNIAS CC YALLVHMMAQ QCDLEVGDFV WTGGDTHLYS NHMDQTHLQL SREPRPLPKL IIKRKPESIF CC DYRFEDFEIE GYDPHPGIKA PVAI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTQRC CC ATOM XKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTQRC CC ************************************************** CC SEQRES HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA CC ATOM HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA CC ************************************************** CC SEQRES WPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFF CC ATOM WPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFF CC ************************************************** CC SEQRES QFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFV CC ATOM QFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFV CC ************************************************** CC SEQRES WTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIE CC ATOM WTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIE CC ************************************************** CC SEQRES GYDPHPGIKAPVAI CC ATOM GYDPHPGIKAPVAI CC ************** SQ SEQUENCE 264 AA; MW; CN; XKQYLELMQK VLDEGTQKND RTGTGTLSIF GHQMRFNLQD GFPLVTTQRC HLRSIIHELL WFLQGDTNIA YLHENNVTIW DEWADENGDL GPVYGKQWRA WPTPDGRHID QITTVLNQLK NDPDSRRIIV SAWNVGELDK MALAPCHAFF QFYVADGKLS CQLYQRSCDV FLGLPFNIAS YALLVHMMAQ QCDLEVGDFV WTGGDTHLYS NHMDQTHLQL SREPRPLPKL IIKRKPESIF DYRFEDFEIE GYDPHPGIKA PVAI //