5J7W
Enterococcus faecalis thymidylate synthase complex with methotrexate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004799 | molecular_function | thymidylate synthase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006231 | biological_process | dTMP biosynthetic process |
| A | 0006235 | biological_process | dTTP biosynthetic process |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0009165 | biological_process | nucleotide biosynthetic process |
| A | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| A | 0032259 | biological_process | methylation |
| B | 0004799 | molecular_function | thymidylate synthase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006231 | biological_process | dTMP biosynthetic process |
| B | 0006235 | biological_process | dTTP biosynthetic process |
| B | 0008168 | molecular_function | methyltransferase activity |
| B | 0009165 | biological_process | nucleotide biosynthetic process |
| B | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| B | 0032259 | biological_process | methylation |
| C | 0004799 | molecular_function | thymidylate synthase activity |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0006231 | biological_process | dTMP biosynthetic process |
| C | 0006235 | biological_process | dTTP biosynthetic process |
| C | 0008168 | molecular_function | methyltransferase activity |
| C | 0009165 | biological_process | nucleotide biosynthetic process |
| C | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| C | 0032259 | biological_process | methylation |
| D | 0004799 | molecular_function | thymidylate synthase activity |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0006231 | biological_process | dTMP biosynthetic process |
| D | 0006235 | biological_process | dTTP biosynthetic process |
| D | 0008168 | molecular_function | methyltransferase activity |
| D | 0009165 | biological_process | nucleotide biosynthetic process |
| D | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| D | 0032259 | biological_process | methylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 401 |
| Chain | Residue |
| A | ARG217 |
| A | SER218 |
| D | ARG177 |
| D | ARG178 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 401 |
| Chain | Residue |
| B | LEU194 |
| B | ARG217 |
| B | SER218 |
| C | ARG177 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 C 401 |
| Chain | Residue |
| B | ARG178 |
| C | ARG22 |
| C | ARG217 |
| C | SER218 |
| B | ARG177 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | binding site for residue MTX C 402 |
| Chain | Residue |
| C | LEU55 |
| C | GLU59 |
| C | ILE80 |
| C | TRP81 |
| C | TRP84 |
| C | LEU194 |
| C | ASP220 |
| C | LEU223 |
| C | GLY224 |
| C | PHE227 |
| C | TYR260 |
| C | ILE313 |
| C | ALA314 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 D 401 |
| Chain | Residue |
| A | ARG177 |
| A | ARG178 |
| D | ARG22 |
| D | ARG217 |
| D | SER218 |
| D | HOH514 |
| site_id | AC6 |
| Number of Residues | 17 |
| Details | binding site for residue MTX D 402 |
| Chain | Residue |
| D | LEU55 |
| D | GLU59 |
| D | ILE80 |
| D | TRP81 |
| D | TRP84 |
| D | LEU194 |
| D | ASP220 |
| D | LEU223 |
| D | GLY224 |
| D | PHE227 |
| D | TYR260 |
| D | ILE313 |
| D | ALA314 |
| D | HOH524 |
| D | HOH526 |
| D | HOH537 |
| D | HOH538 |
Functional Information from PROSITE/UniProt
| site_id | PS00091 |
| Number of Residues | 29 |
| Details | THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RrlIvsaWNpedvpsma.....LpPCHtmfQFyV |
| Chain | Residue | Details |
| A | ARG177-VAL205 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_00008 |
| Chain | Residue | Details |
| A | CYS197 | |
| B | CYS197 | |
| C | CYS197 | |
| D | CYS197 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: in other chain => ECO:0000255|HAMAP-Rule:MF_00008 |
| Chain | Residue | Details |
| A | ARG22 | |
| C | ARG217 | |
| C | ASN228 | |
| C | HIS258 | |
| D | ARG22 | |
| D | ARG217 | |
| D | ASN228 | |
| D | HIS258 | |
| A | ARG217 | |
| A | ASN228 | |
| A | HIS258 | |
| B | ARG22 | |
| B | ARG217 | |
| B | ASN228 | |
| B | HIS258 | |
| C | ARG22 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00008 |
| Chain | Residue | Details |
| A | ARG177 | |
| D | ARG177 | |
| D | ASP220 | |
| D | ALA314 | |
| A | ASP220 | |
| A | ALA314 | |
| B | ARG177 | |
| B | ASP220 | |
| B | ALA314 | |
| C | ARG177 | |
| C | ASP220 | |
| C | ALA314 |
