ID 1AN5A STANDARD; PRT; 265 AA. DT CONVERTED FROM PDB (SEQRES) 1AN5 DE THYMIDYLATE SYNTHASE OS Escherichia coli CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.600 CC R-Factor 0.193 FT #SUB 17 16 THR A 156 155 ALA B Protein S 1 FT #SUB 17 16 THR A 157 156 ASP B Protein S 4 FT #SUB 19 18 LYS A 125 124 ASP B Protein S 6 FT #SUB 19 18 LYS A 154 153 TYR B Protein S 1 FT #SUB 19 18 LYS A 155 154 VAL B Protein S 2 FT #SUB 20 19 ASN A 125 124 ASP B Protein B 1 FT #SUB 21 20 ASP A 127 126 ARG B Protein S 7 FT #SUB 22 21 ARG A 128 127 ARG B Protein S 1 FT #SUB 27 26 THR A 127 126 ARG B Protein S 1 FT #SUB 29 28 SER A 154 153 TYR B Protein A 6 FT #SUB 30 29 ILE A 154 153 TYR B Protein B 1 FT #SUB 31 30 PHE A 36 35 ARG B Protein B 4 FT #SUB 31 30 PHE A 152 151 GLN B Protein S 2 FT #SUB 31 30 PHE A 154 153 TYR B Protein S 15 FT #SUB 31 30 PHE A 162 161 CYS B Protein S 1 FT #SUB 31 30 PHE A 163 162 GLN B Protein S 4 FT #SUB 32 31 GLY A 36 35 ARG B Protein B 3 FT #SUB 33 32 HIS A 34 33 GLN B Protein B 6 FT #SUB 34 33 GLN A 32 31 GLY B Protein S 1 FT #SUB 34 33 GLN A 33 32 HIS B Protein S 8 FT #SUB 34 33 GLN A 34 33 GLN B Protein A 6 FT #SUB 34 33 GLN A 203 202 THR B Protein S 1 FT #SUB 36 35 ARG A 31 30 PHE B Protein S 3 FT #SUB 36 35 ARG A 32 31 GLY B Protein S 2 FT #SUB 102 101 TRP A 102 101 TRP B Protein S 1 FT #SUB 102 101 TRP A 135 134 ASN B Protein S 1 FT #SUB 102 101 TRP A 136 135 VAL B Protein S 9 FT #SUB 102 101 TRP A 137 136 GLY B Protein S 2 FT #SUB 103 102 PRO A 105 104 PRO B Protein S 2 FT #SUB 104 103 THR A 137 136 GLY B Protein S 3 FT #SUB 105 104 PRO A 103 102 PRO B Protein S 2 FT #SUB 106 105 ASP A 141 140 LYS B Protein S 2 FT #SUB 108 107 ARG A 137 136 GLY B Protein S 1 FT #SUB 108 107 ARG A 140 139 ASP B Protein S 3 FT #SUB 110 109 ILE A 136 135 VAL B Protein S 2 FT #SUB 112 111 GLN A 136 135 VAL B Protein S 2 FT #SUB 125 124 ASP A 19 18 LYS B Protein A 4 FT #SUB 125 124 ASP A 20 19 ASN B Protein S 2 FT #SUB 127 126 ARG A 21 20 ASP B Protein S 6 FT #SUB 127 126 ARG A 167 166 ARG B Protein A 6 FT #SUB 127 126 ARG A 168 167 SER B Protein S 3 FT #SUB 127 126 ARG A 206 205 ASP B Protein S 5 FT #SUB 127 126 ARG A 208 207 HIS B Protein S 8 FT #SUB 127 126 ARG A 210 209 TYR B Protein S 1 FT #SUB 128 127 ARG A 144 143 LEU B Protein S 1 FT #SUB 128 127 ARG A 145 144 ALA B Protein S 3 FT #SUB 128 127 ARG A 167 166 ARG B Protein S 3 FT #SUB 130 129 ILE A 167 166 ARG B Protein S 2 FT #SUB 132 131 SER A 134 133 TRP B Protein S 1 FT #SUB 134 133 TRP A 130 129 ILE B Protein S 3 FT #SUB 134 133 TRP A 132 131 SER B Protein S 1 FT #SUB 134 133 TRP A 150 149 PHE B Protein S 3 FT #SUB 135 134 ASN A 102 101 TRP B Protein S 1 FT #SUB 136 135 VAL A 102 101 TRP B Protein A 6 FT #SUB 136 135 VAL A 110 109 ILE B Protein A 2 FT #SUB 136 135 VAL A 112 111 GLN B Protein S 2 FT #SUB 137 136 GLY A 102 101 TRP B Protein B 5 FT #SUB 137 136 GLY A 104 103 THR B Protein B 2 FT #SUB 137 136 GLY A 105 104 PRO B Protein B 1 FT #SUB 137 136 GLY A 110 109 ILE B Protein B 1 FT #SUB 140 139 ASP A 108 107 ARG B Protein S 1 FT #SUB 141 140 LYS A 106 105 ASP B Protein S 1 FT #SUB 145 144 ALA A 128 127 ARG B Protein S 2 FT #SUB 150 149 PHE A 134 133 TRP B Protein S 3 FT #SUB 150 149 PHE A 165 164 TYR B Protein S 2 FT #SUB 152 151 GLN A 31 30 PHE B Protein A 2 FT #SUB 152 151 GLN A 165 164 TYR B Protein S 5 FT #SUB 152 151 GLN A 167 166 ARG B Protein S 6 FT #SUB 152 151 GLN A 205 204 GLY B Protein S 1 FT #SUB 154 153 TYR A 19 18 LYS B Protein S 3 FT #SUB 154 153 TYR A 29 28 SER B Protein S 6 FT #SUB 154 153 TYR A 31 30 PHE B Protein S 18 FT #SUB 154 153 TYR A 206 205 ASP B Protein S 3 FT #SUB 155 154 VAL A 19 18 LYS B Protein B 1 FT #SUB 157 156 ASP A 17 16 THR B Protein S 2 FT #SUB 161 160 SER A 31 30 PHE B Protein S 1 FT #SUB 162 161 CYS A 31 30 PHE B Protein B 2 FT #SUB 163 162 GLN A 31 30 PHE B Protein A 4 FT #SUB 163 162 GLN A 32 31 GLY B Protein S 1 FT #SUB 163 162 GLN A 165 164 TYR B Protein S 7 FT #SUB 163 162 GLN A 203 202 THR B Protein S 1 FT #SUB 163 162 GLN A 204 203 GLY B Protein S 4 FT #SUB 163 162 GLN A 205 204 GLY B Protein S 2 FT #SUB 165 164 TYR A 152 151 GLN B Protein S 5 FT #SUB 165 164 TYR A 163 162 GLN B Protein S 10 FT #SUB 165 164 TYR A 165 164 TYR B Protein S 1 FT #SUB 167 166 ARG A 127 126 ARG B Protein S 5 FT #SUB 167 166 ARG A 128 127 ARG B Protein S 2 FT #SUB 167 166 ARG A 130 129 ILE B Protein S 2 FT #SUB 167 166 ARG A 152 151 GLN B Protein A 5 FT #SUB 168 167 SER A 127 126 ARG B Protein S 4 FT #SUB 203 202 THR A 34 33 GLN B Protein S 1 FT #SUB 203 202 THR A 163 162 GLN B Protein S 1 FT #SUB 203 202 THR A 203 202 THR B Protein S 3 FT #SUB 204 203 GLY A 163 162 GLN B Protein B 2 FT #SUB 205 204 GLY A 152 151 GLN B Protein B 1 FT #SUB 205 204 GLY A 163 162 GLN B Protein B 2 FT #SUB 206 205 ASP A 127 126 ARG B Protein S 5 FT #SUB 206 205 ASP A 154 153 TYR B Protein S 3 FT #SUB 208 207 HIS A 127 126 ARG B Protein S 8 FT #SUB 210 209 TYR A 127 126 ARG B Protein S 3 FT #HET 22 21 ARG A 1 686 PO4 A S 6 FT #HET 52 51 HIS A 2 684 CB3 A S 6 FT #HET 55 54 SER A 2 684 CB3 A S 4 FT #HET 59 58 GLU A 2 684 CB3 A S 1 FT #HET 80 79 ILE A 2 684 CB3 A A 4 FT #HET 81 80 TRP A 2 684 CB3 A S 8 FT #HET 84 83 TRP A 2 684 CB3 A S 5 FT #HET 95 94 TYR A 2 684 CB3 A S 5 FT #HET 127 126 ARG A 3 687 PO4 B S 9 FT #HET 128 127 ARG A 3 687 PO4 B S 10 FT #HET 144 143 LEU A 2 684 CB3 A S 6 FT #HET 145 144 ALA A 2 684 CB3 A B 3 FT #HET 147 146 CYS A 2 684 CB3 A A 8 FT #HET 148 147 HIS A 2 684 CB3 A S 2 FT #HET 167 166 ARG A 1 686 PO4 A S 7 FT #HET 168 167 SER A 1 686 PO4 A S 1 FT #HET 173 172 LEU A 2 684 CB3 A S 1 FT #HET 174 173 GLY A 2 684 CB3 A B 1 FT #HET 177 176 PHE A 2 684 CB3 A S 3 FT #HET 178 177 ASN A 2 684 CB3 A S 4 FT #HET 263 262 VAL A 2 684 CB3 A S 1 CC SEQUENCE 265 AA (ATOM); CC XMKQYLELMQ KVLDEGTQKN DRTGTGTLSI FGHQMRFNLQ DGFPLVTTKR CHLRSIIHEL CC LWFLQGDTNI AYLHENNVTI WDEWADENGD LGPVYGKQWR AWPTPDGRHI DQITTVLNQL CC KNDPDSRRII VSAWNVGELD KMALAPCHAF FQFYVADGKL SCQLYQRSCD VFLGLPFNIA CC SYALLVHMMA QQCDLEVGDF VWTGGDTHLY SNHMDQTHLQ LSREPRPLPK LIIKRKPESI CC FDYRFEDFEI EGYDPHPGIK APVAI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XMKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKR CC ATOM XMKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKR CC ************************************************** CC SEQRES CHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWR CC ATOM CHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWR CC ************************************************** CC SEQRES AWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAF CC ATOM AWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAF CC ************************************************** CC SEQRES FQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDF CC ATOM FQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDF CC ************************************************** CC SEQRES VWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEI CC ATOM VWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEI CC ************************************************** CC SEQRES EGYDPHPGIKAPVAI CC ATOM EGYDPHPGIKAPVAI CC *************** SQ SEQUENCE 265 AA; MW; CN; XMKQYLELMQ KVLDEGTQKN DRTGTGTLSI FGHQMRFNLQ DGFPLVTTKR CHLRSIIHEL LWFLQGDTNI AYLHENNVTI WDEWADENGD LGPVYGKQWR AWPTPDGRHI DQITTVLNQL KNDPDSRRII VSAWNVGELD KMALAPCHAF FQFYVADGKL SCQLYQRSCD VFLGLPFNIA SYALLVHMMA QQCDLEVGDF VWTGGDTHLY SNHMDQTHLQ LSREPRPLPK LIIKRKPESI FDYRFEDFEI EGYDPHPGIK APVAI // ID 1AN5B STANDARD; PRT; 265 AA. DT CONVERTED FROM PDB (SEQRES) 1AN5 DE THYMIDYLATE SYNTHASE OS Escherichia coli CC EXPDTA X-RAY DIFFRACTION CC RESOLU 2.600 CC R-Factor 0.193 FT #SUB 17 16 THR B 157 156 ASP A Protein S 2 FT #SUB 19 18 LYS B 125 124 ASP A Protein S 4 FT #SUB 19 18 LYS B 154 153 TYR A Protein S 3 FT #SUB 19 18 LYS B 155 154 VAL A Protein S 1 FT #SUB 20 19 ASN B 125 124 ASP A Protein B 2 FT #SUB 21 20 ASP B 127 126 ARG A Protein S 6 FT #SUB 29 28 SER B 154 153 TYR A Protein A 6 FT #SUB 31 30 PHE B 36 35 ARG A Protein B 3 FT #SUB 31 30 PHE B 152 151 GLN A Protein S 2 FT #SUB 31 30 PHE B 154 153 TYR A Protein S 18 FT #SUB 31 30 PHE B 161 160 SER A Protein S 1 FT #SUB 31 30 PHE B 162 161 CYS A Protein S 2 FT #SUB 31 30 PHE B 163 162 GLN A Protein S 4 FT #SUB 32 31 GLY B 34 33 GLN A Protein B 1 FT #SUB 32 31 GLY B 36 35 ARG A Protein B 2 FT #SUB 32 31 GLY B 163 162 GLN A Protein B 1 FT #SUB 33 32 HIS B 34 33 GLN A Protein B 8 FT #SUB 34 33 GLN B 33 32 HIS A Protein S 6 FT #SUB 34 33 GLN B 34 33 GLN A Protein A 6 FT #SUB 34 33 GLN B 203 202 THR A Protein S 1 FT #SUB 36 35 ARG B 31 30 PHE A Protein S 4 FT #SUB 36 35 ARG B 32 31 GLY A Protein S 3 FT #SUB 102 101 TRP B 102 101 TRP A Protein S 1 FT #SUB 102 101 TRP B 135 134 ASN A Protein S 1 FT #SUB 102 101 TRP B 136 135 VAL A Protein S 6 FT #SUB 102 101 TRP B 137 136 GLY A Protein S 5 FT #SUB 103 102 PRO B 105 104 PRO A Protein A 2 FT #SUB 104 103 THR B 137 136 GLY A Protein S 2 FT #SUB 105 104 PRO B 103 102 PRO A Protein S 2 FT #SUB 105 104 PRO B 137 136 GLY A Protein S 1 FT #SUB 106 105 ASP B 141 140 LYS A Protein S 1 FT #SUB 108 107 ARG B 140 139 ASP A Protein S 1 FT #SUB 110 109 ILE B 136 135 VAL A Protein S 2 FT #SUB 110 109 ILE B 137 136 GLY A Protein S 1 FT #SUB 112 111 GLN B 136 135 VAL A Protein S 2 FT #SUB 125 124 ASP B 19 18 LYS A Protein A 6 FT #SUB 125 124 ASP B 20 19 ASN A Protein S 1 FT #SUB 127 126 ARG B 21 20 ASP A Protein S 7 FT #SUB 127 126 ARG B 27 26 THR A Protein S 1 FT #SUB 127 126 ARG B 167 166 ARG A Protein A 5 FT #SUB 127 126 ARG B 168 167 SER A Protein S 4 FT #SUB 127 126 ARG B 206 205 ASP A Protein S 5 FT #SUB 127 126 ARG B 208 207 HIS A Protein S 8 FT #SUB 127 126 ARG B 210 209 TYR A Protein S 3 FT #SUB 128 127 ARG B 22 21 ARG A Protein S 1 FT #SUB 128 127 ARG B 145 144 ALA A Protein S 2 FT #SUB 128 127 ARG B 167 166 ARG A Protein S 2 FT #SUB 130 129 ILE B 134 133 TRP A Protein S 3 FT #SUB 130 129 ILE B 167 166 ARG A Protein S 2 FT #SUB 132 131 SER B 134 133 TRP A Protein S 1 FT #SUB 134 133 TRP B 132 131 SER A Protein S 1 FT #SUB 134 133 TRP B 150 149 PHE A Protein S 3 FT #SUB 135 134 ASN B 102 101 TRP A Protein S 1 FT #SUB 136 135 VAL B 102 101 TRP A Protein A 9 FT #SUB 136 135 VAL B 110 109 ILE A Protein A 2 FT #SUB 136 135 VAL B 112 111 GLN A Protein S 2 FT #SUB 137 136 GLY B 102 101 TRP A Protein B 2 FT #SUB 137 136 GLY B 104 103 THR A Protein B 3 FT #SUB 137 136 GLY B 108 107 ARG A Protein B 1 FT #SUB 140 139 ASP B 108 107 ARG A Protein S 3 FT #SUB 141 140 LYS B 106 105 ASP A Protein S 2 FT #SUB 144 143 LEU B 128 127 ARG A Protein S 1 FT #SUB 145 144 ALA B 128 127 ARG A Protein A 3 FT #SUB 150 149 PHE B 134 133 TRP A Protein S 3 FT #SUB 152 151 GLN B 31 30 PHE A Protein A 2 FT #SUB 152 151 GLN B 165 164 TYR A Protein S 5 FT #SUB 152 151 GLN B 167 166 ARG A Protein S 5 FT #SUB 152 151 GLN B 205 204 GLY A Protein S 1 FT #SUB 154 153 TYR B 19 18 LYS A Protein S 1 FT #SUB 154 153 TYR B 29 28 SER A Protein S 6 FT #SUB 154 153 TYR B 30 29 ILE A Protein S 1 FT #SUB 154 153 TYR B 31 30 PHE A Protein S 15 FT #SUB 154 153 TYR B 206 205 ASP A Protein S 3 FT #SUB 155 154 VAL B 19 18 LYS A Protein B 2 FT #SUB 156 155 ALA B 17 16 THR A Protein S 1 FT #SUB 157 156 ASP B 17 16 THR A Protein S 4 FT #SUB 162 161 CYS B 31 30 PHE A Protein B 1 FT #SUB 163 162 GLN B 31 30 PHE A Protein A 4 FT #SUB 163 162 GLN B 165 164 TYR A Protein S 10 FT #SUB 163 162 GLN B 203 202 THR A Protein S 1 FT #SUB 163 162 GLN B 204 203 GLY A Protein S 2 FT #SUB 163 162 GLN B 205 204 GLY A Protein S 2 FT #SUB 165 164 TYR B 150 149 PHE A Protein S 2 FT #SUB 165 164 TYR B 152 151 GLN A Protein S 5 FT #SUB 165 164 TYR B 163 162 GLN A Protein S 7 FT #SUB 165 164 TYR B 165 164 TYR A Protein S 1 FT #SUB 167 166 ARG B 127 126 ARG A Protein S 6 FT #SUB 167 166 ARG B 128 127 ARG A Protein S 3 FT #SUB 167 166 ARG B 130 129 ILE A Protein S 2 FT #SUB 167 166 ARG B 152 151 GLN A Protein A 6 FT #SUB 168 167 SER B 127 126 ARG A Protein S 3 FT #SUB 203 202 THR B 34 33 GLN A Protein S 1 FT #SUB 203 202 THR B 163 162 GLN A Protein S 1 FT #SUB 203 202 THR B 203 202 THR A Protein S 3 FT #SUB 204 203 GLY B 163 162 GLN A Protein B 4 FT #SUB 205 204 GLY B 152 151 GLN A Protein B 1 FT #SUB 205 204 GLY B 163 162 GLN A Protein B 2 FT #SUB 206 205 ASP B 127 126 ARG A Protein S 5 FT #SUB 206 205 ASP B 154 153 TYR A Protein S 3 FT #SUB 208 207 HIS B 127 126 ARG A Protein S 8 FT #SUB 210 209 TYR B 127 126 ARG A Protein S 1 FT #HET 22 21 ARG B 3 687 PO4 B S 5 FT #HET 52 51 HIS B 4 685 CB3 B S 7 FT #HET 55 54 SER B 4 685 CB3 B S 4 FT #HET 59 58 GLU B 4 685 CB3 B S 1 FT #HET 80 79 ILE B 4 685 CB3 B A 6 FT #HET 81 80 TRP B 4 685 CB3 B S 11 FT #HET 84 83 TRP B 4 685 CB3 B S 2 FT #HET 95 94 TYR B 4 685 CB3 B S 6 FT #HET 127 126 ARG B 1 686 PO4 A S 4 FT #HET 128 127 ARG B 1 686 PO4 A S 13 FT #HET 144 143 LEU B 4 685 CB3 B S 8 FT #HET 145 144 ALA B 4 685 CB3 B B 4 FT #HET 147 146 CYS B 4 685 CB3 B A 12 FT #HET 148 147 HIS B 4 685 CB3 B S 2 FT #HET 167 166 ARG B 3 687 PO4 B S 9 FT #HET 167 166 ARG B 4 685 CB3 B S 1 FT #HET 168 167 SER B 3 687 PO4 B S 2 FT #HET 173 172 LEU B 4 685 CB3 B S 1 FT #HET 174 173 GLY B 4 685 CB3 B B 3 FT #HET 177 176 PHE B 4 685 CB3 B S 5 FT #HET 178 177 ASN B 4 685 CB3 B S 3 FT #HET 263 262 VAL B 4 685 CB3 B S 1 CC SEQUENCE 265 AA (ATOM); CC XMKQYLELMQ KVLDEGTQKN DRTGTGTLSI FGHQMRFNLQ DGFPLVTTKR CHLRSIIHEL CC LWFLQGDTNI AYLHENNVTI WDEWADENGD LGPVYGKQWR AWPTPDGRHI DQITTVLNQL CC KNDPDSRRII VSAWNVGELD KMALAPCHAF FQFYVADGKL SCQLYQRSCD VFLGLPFNIA CC SYALLVHMMA QQCDLEVGDF VWTGGDTHLY SNHMDQTHLQ LSREPRPLPK LIIKRKPESI CC FDYRFEDFEI EGYDPHPGIK APVAI CC !---- CC ALIGNMENT OF SEQRES AND ATOMRES CC SEQRES XMKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKR CC ATOM XMKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKR CC ************************************************** CC SEQRES CHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWR CC ATOM CHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWR CC ************************************************** CC SEQRES AWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAF CC ATOM AWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAF CC ************************************************** CC SEQRES FQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDF CC ATOM FQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDF CC ************************************************** CC SEQRES VWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEI CC ATOM VWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEI CC ************************************************** CC SEQRES EGYDPHPGIKAPVAI CC ATOM EGYDPHPGIKAPVAI CC *************** SQ SEQUENCE 265 AA; MW; CN; XMKQYLELMQ KVLDEGTQKN DRTGTGTLSI FGHQMRFNLQ DGFPLVTTKR CHLRSIIHEL LWFLQGDTNI AYLHENNVTI WDEWADENGD LGPVYGKQWR AWPTPDGRHI DQITTVLNQL KNDPDSRRII VSAWNVGELD KMALAPCHAF FQFYVADGKL SCQLYQRSCD VFLGLPFNIA SYALLVHMMA QQCDLEVGDF VWTGGDTHLY SNHMDQTHLQ LSREPRPLPK LIIKRKPESI FDYRFEDFEI EGYDPHPGIK APVAI //