ID 1AIQA STANDARD; PRT; 264 AA. DT CONVERTED FROM PDB (SEQRES) 1AIQ DE THYMIDYLATE SYNTHASE OS Escherichia coli CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.163 FT #SUB 16 16 THR A 153 153 TYR B Protein S 1 FT #SUB 16 16 THR A 155 155 ALA B Protein S 1 FT #SUB 16 16 THR A 156 156 ASP B Protein S 3 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 4 FT #SUB 18 18 LYS A 154 154 VAL B Protein S 2 FT #SUB 19 19 ASN A 124 124 ASP B Protein B 3 FT #SUB 28 28 SER A 153 153 TYR B Protein A 6 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 4 FT #SUB 30 30 PHE A 153 153 TYR B Protein S 17 FT #SUB 30 30 PHE A 160 160 SER B Protein S 1 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 4 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 7 FT #SUB 33 33 GLN A 31 31 GLY B Protein S 1 FT #SUB 33 33 GLN A 32 32 HIS B Protein S 7 FT #SUB 33 33 GLN A 33 33 GLN B Protein A 5 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 2 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 1 FT #SUB 101 101 TRP A 135 135 VAL B Protein S 12 FT #SUB 101 101 TRP A 136 136 GLY B Protein S 2 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 136 136 GLY B Protein S 1 FT #SUB 105 105 ASP A 140 140 LYS B Protein S 2 FT #SUB 107 107 ARG A 136 136 GLY B Protein S 1 FT #SUB 107 107 ARG A 140 140 LYS B Protein S 1 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 4 FT #SUB 124 124 ASP A 19 19 ASN B Protein S 3 FT #SUB 126 126 GLU A 166 166 ARG B Protein A 6 FT #SUB 126 126 GLU A 167 167 SER B Protein S 5 FT #SUB 126 126 GLU A 205 205 ASP B Protein S 2 FT #SUB 126 126 GLU A 207 207 HIS B Protein S 4 FT #SUB 127 127 ARG A 133 133 TRP B Protein S 1 FT #SUB 127 127 ARG A 144 144 ALA B Protein S 1 FT #SUB 127 127 ARG A 166 166 ARG B Protein A 2 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 3 FT #SUB 131 131 SER A 133 133 TRP B Protein S 1 FT #SUB 133 133 TRP A 129 129 ILE B Protein S 4 FT #SUB 133 133 TRP A 131 131 SER B Protein S 1 FT #SUB 133 133 TRP A 149 149 PHE B Protein S 3 FT #SUB 135 135 VAL A 101 101 TRP B Protein A 6 FT #SUB 135 135 VAL A 109 109 ILE B Protein A 3 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 136 136 GLY A 103 103 THR B Protein B 1 FT #SUB 136 136 GLY A 109 109 ILE B Protein B 1 FT #SUB 149 149 PHE A 133 133 TRP B Protein S 2 FT #SUB 149 149 PHE A 164 164 TYR B Protein S 2 FT #SUB 151 151 GLN A 30 30 PHE B Protein B 1 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 9 FT #SUB 151 151 GLN A 204 204 GLY B Protein S 1 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 17 FT #SUB 153 153 TYR A 205 205 ASP B Protein S 2 FT #SUB 156 156 ASP A 16 16 THR B Protein S 2 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 31 31 GLY B Protein S 1 FT #SUB 162 162 GLN A 164 164 TYR B Protein S 7 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 3 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 9 FT #SUB 166 166 ARG A 126 126 GLU B Protein S 5 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 3 FT #SUB 166 166 ARG A 151 151 GLN B Protein A 7 FT #SUB 167 167 SER A 126 126 GLU B Protein S 7 FT #SUB 202 202 THR A 33 33 GLN 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 GLU 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 GLU B Protein S 5 FT #HET 21 21 ARG A 1 265 UMP A S 7 FT #HET 51 51 HIS A 2 266 CB3 A S 3 FT #HET 54 54 SER A 2 266 CB3 A S 2 FT #HET 58 58 GLU A 2 266 CB3 A S 1 FT #HET 79 79 ILE A 2 266 CB3 A A 5 FT #HET 80 80 TRP A 2 266 CB3 A S 4 FT #HET 83 83 TRP A 2 266 CB3 A S 10 FT #HET 94 94 TYR A 1 265 UMP A S 1 FT #HET 126 126 GLU A 3 266 UMP B S 6 FT #HET 143 143 LEU A 2 266 CB3 A S 1 FT #HET 146 146 CYS A 1 265 UMP A S 17 FT #HET 147 147 HIS A 1 265 UMP A S 2 FT #HET 165 165 GLN A 1 265 UMP A S 3 FT #HET 166 166 ARG A 1 265 UMP A S 8 FT #HET 167 167 SER A 1 265 UMP A A 10 FT #HET 168 168 CYS A 1 265 UMP A B 3 FT #HET 169 169 ASP A 1 265 UMP A A 6 FT #HET 169 169 ASP A 2 266 CB3 A S 10 FT #HET 172 172 LEU A 2 266 CB3 A A 2 FT #HET 173 173 GLY A 2 266 CB3 A B 5 FT #HET 176 176 PHE A 2 266 CB3 A S 8 FT #HET 177 177 ASN A 1 265 UMP A S 10 FT #HET 177 177 ASN A 2 266 CB3 A S 4 FT #HET 207 207 HIS A 1 265 UMP A S 5 FT #HET 209 209 TYR A 1 265 UMP A S 5 FT #HET 209 209 TYR A 2 266 CB3 A S 3 FT #HET 259 259 LYS A 2 266 CB3 A S 1 FT #HET 262 262 VAL A 2 266 CB3 A S 5 FT #HET 263 263 ALA A 2 266 CB3 A A 6 CC SEQUENCE 264 AA (ATOM); CC XKQYLELMQK VLDEGTQKND RTGTGTLSIF GHQMRFNLQD GFPLVTTKRC HLRSIIHELL CC WFLQGDTNIA YLHENNVTIW DEWADENGDL GPVYGKQWRA WPTPDGRHID QITTVLNQLK CC NDPDSERIIV 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 XKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC CC ATOM XKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC CC ************************************************** CC SEQRES HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA CC ATOM HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA CC ************************************************** CC SEQRES WPTPDGRHIDQITTVLNQLKNDPDSERIIVSAWNVGELDKMALAPCHAFF CC ATOM WPTPDGRHIDQITTVLNQLKNDPDSERIIVSAWNVGELDKMALAPCHAFF 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 GFPLVTTKRC HLRSIIHELL WFLQGDTNIA YLHENNVTIW DEWADENGDL GPVYGKQWRA WPTPDGRHID QITTVLNQLK NDPDSERIIV SAWNVGELDK MALAPCHAFF QFYVADGKLS CQLYQRSCDV FLGLPFNIAS YALLVHMMAQ QCDLEVGDFV WTGGDTHLYS NHMDQTHLQL SREPRPLPKL IIKRKPESIF DYRFEDFEIE GYDPHPGIKA PVAI // ID 1AIQB STANDARD; PRT; 264 AA. DT CONVERTED FROM PDB (SEQRES) 1AIQ DE THYMIDYLATE SYNTHASE OS Escherichia coli CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.200 CC R-Factor 0.163 FT #SUB 16 16 THR B 156 156 ASP A Protein S 2 FT #SUB 18 18 LYS B 124 124 ASP A Protein S 4 FT #SUB 19 19 ASN B 124 124 ASP A Protein B 3 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 1 FT #SUB 30 30 PHE B 153 153 TYR A Protein S 17 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 33 33 GLN A Protein B 1 FT #SUB 31 31 GLY B 35 35 ARG A Protein B 3 FT #SUB 31 31 GLY B 162 162 GLN A Protein B 1 FT #SUB 32 32 HIS B 33 33 GLN A Protein B 7 FT #SUB 33 33 GLN B 32 32 HIS A Protein S 7 FT #SUB 33 33 GLN B 33 33 GLN A Protein A 5 FT #SUB 33 33 GLN B 202 202 THR A Protein S 1 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 2 FT #SUB 101 101 TRP B 135 135 VAL A Protein S 6 FT #SUB 101 101 TRP B 136 136 GLY A Protein S 2 FT #SUB 103 103 THR B 136 136 GLY A Protein S 1 FT #SUB 104 104 PRO B 103 103 THR A Protein A 2 FT #SUB 109 109 ILE B 135 135 VAL A Protein S 3 FT #SUB 109 109 ILE B 136 136 GLY A Protein S 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 3 FT #SUB 126 126 GLU B 166 166 ARG A Protein A 5 FT #SUB 126 126 GLU B 167 167 SER A Protein S 7 FT #SUB 126 126 GLU B 205 205 ASP A Protein S 1 FT #SUB 126 126 GLU B 207 207 HIS A Protein S 5 FT #SUB 127 127 ARG B 166 166 ARG A Protein A 2 FT #SUB 129 129 ILE B 133 133 TRP A Protein S 4 FT #SUB 129 129 ILE B 166 166 ARG A Protein S 3 FT #SUB 131 131 SER B 133 133 TRP A Protein S 1 FT #SUB 133 133 TRP B 101 101 TRP A Protein B 1 FT #SUB 133 133 TRP B 127 127 ARG A Protein S 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 2 FT #SUB 134 134 ASN B 101 101 TRP A Protein S 1 FT #SUB 135 135 VAL B 101 101 TRP A Protein A 12 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 2 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 1 FT #SUB 140 140 LYS B 105 105 ASP A Protein S 2 FT #SUB 140 140 LYS B 107 107 ARG A Protein S 1 FT #SUB 144 144 ALA B 127 127 ARG A Protein S 1 FT #SUB 149 149 PHE B 133 133 TRP A Protein S 3 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 4 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 16 16 THR A Protein S 1 FT #SUB 153 153 TYR B 18 18 LYS A Protein S 4 FT #SUB 153 153 TYR B 28 28 SER A Protein S 6 FT #SUB 153 153 TYR B 30 30 PHE A Protein S 17 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 2 FT #SUB 155 155 ALA B 16 16 THR A Protein S 1 FT #SUB 156 156 ASP B 16 16 THR A Protein S 3 FT #SUB 160 160 SER B 30 30 PHE A Protein S 1 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 4 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 9 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 7 FT #SUB 166 166 ARG B 126 126 GLU A Protein A 6 FT #SUB 166 166 ARG B 127 127 ARG A Protein S 2 FT #SUB 166 166 ARG B 129 129 ILE A Protein S 3 FT #SUB 166 166 ARG B 151 151 GLN A Protein A 9 FT #SUB 167 167 SER B 126 126 GLU A Protein S 5 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 3 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 GLU A Protein S 2 FT #SUB 205 205 ASP B 153 153 TYR A Protein S 2 FT #SUB 207 207 HIS B 126 126 GLU A Protein S 4 FT #HET 21 21 ARG B 3 266 UMP B S 10 FT #HET 51 51 HIS B 4 267 CB3 B S 5 FT #HET 54 54 SER B 4 267 CB3 B S 1 FT #HET 58 58 GLU B 4 267 CB3 B S 1 FT #HET 79 79 ILE B 4 267 CB3 B A 4 FT #HET 80 80 TRP B 4 267 CB3 B S 3 FT #HET 83 83 TRP B 4 267 CB3 B S 7 FT #HET 126 126 GLU B 1 265 UMP A S 9 FT #HET 127 127 ARG B 1 265 UMP A S 1 FT #HET 143 143 LEU B 4 267 CB3 B S 1 FT #HET 144 144 ALA B 3 266 UMP B B 1 FT #HET 146 146 CYS B 3 266 UMP B S 13 FT #HET 147 147 HIS B 3 266 UMP B S 2 FT #HET 165 165 GLN B 3 266 UMP B S 3 FT #HET 166 166 ARG B 3 266 UMP B S 9 FT #HET 167 167 SER B 3 266 UMP B A 9 FT #HET 168 168 CYS B 3 266 UMP B B 3 FT #HET 169 169 ASP B 3 266 UMP B A 8 FT #HET 169 169 ASP B 4 267 CB3 B S 10 FT #HET 172 172 LEU B 4 267 CB3 B A 3 FT #HET 173 173 GLY B 3 266 UMP B B 1 FT #HET 173 173 GLY B 4 267 CB3 B B 5 FT #HET 176 176 PHE B 4 267 CB3 B S 4 FT #HET 177 177 ASN B 3 266 UMP B S 6 FT #HET 177 177 ASN B 4 267 CB3 B S 3 FT #HET 207 207 HIS B 3 266 UMP B S 5 FT #HET 209 209 TYR B 3 266 UMP B S 5 FT #HET 209 209 TYR B 4 267 CB3 B S 3 FT #HET 263 263 ALA B 4 267 CB3 B A 4 CC SEQUENCE 264 AA (ATOM); CC XKQYLELMQK VLDEGTQKND RTGTGTLSIF GHQMRFNLQD GFPLVTTKRC HLRSIIHELL CC WFLQGDTNIA YLHENNVTIW DEWADENGDL GPVYGKQWRA WPTPDGRHID QITTVLNQLK CC NDPDSERIIV 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 XKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC CC ATOM XKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC CC ************************************************** CC SEQRES HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA CC ATOM HLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRA CC ************************************************** CC SEQRES WPTPDGRHIDQITTVLNQLKNDPDSERIIVSAWNVGELDKMALAPCHAFF CC ATOM WPTPDGRHIDQITTVLNQLKNDPDSERIIVSAWNVGELDKMALAPCHAFF 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 GFPLVTTKRC HLRSIIHELL WFLQGDTNIA YLHENNVTIW DEWADENGDL GPVYGKQWRA WPTPDGRHID QITTVLNQLK NDPDSERIIV SAWNVGELDK MALAPCHAFF QFYVADGKLS CQLYQRSCDV FLGLPFNIAS YALLVHMMAQ QCDLEVGDFV WTGGDTHLYS NHMDQTHLQL SREPRPLPKL IIKRKPESIF DYRFEDFEIE GYDPHPGIKA PVAI //