6QYA
Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with dUMP
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 | 13 |
| Details | binding site for residue UMP A 401 |
| Chain | Residue |
| A | ARG22 |
| A | TYR260 |
| A | HOH529 |
| B | ARG177 |
| B | ARG178 |
| A | HIS198 |
| A | GLN216 |
| A | ARG217 |
| A | SER218 |
| A | ALA219 |
| A | ASP220 |
| A | ASN228 |
| A | HIS258 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 402 |
| Chain | Residue |
| A | LEU13 |
| A | HOH528 |
| A | HOH563 |
| A | HOH587 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | ASP175 |
| A | HOH502 |
| A | HOH505 |
| site_id | AC4 |
| Number of Residues | 27 |
| Details | binding site for residue FFO B 401 |
| Chain | Residue |
| B | LEU55 |
| B | ILE80 |
| B | TRP81 |
| B | TRP84 |
| B | LEU194 |
| B | CME197 |
| B | HIS198 |
| B | ASP220 |
| B | GLY224 |
| B | PHE227 |
| B | ASN228 |
| B | ILE313 |
| B | ALA314 |
| B | HOH517 |
| B | HOH529 |
| B | HOH583 |
| B | HOH584 |
| B | HOH600 |
| B | HOH613 |
| B | HOH614 |
| B | HOH622 |
| B | HOH630 |
| B | HOH636 |
| B | HOH654 |
| B | HOH688 |
| B | HOH695 |
| B | HOH731 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 B 402 |
| Chain | Residue |
| A | ARG177 |
| A | ARG178 |
| B | ARG22 |
| B | CME197 |
| B | ARG217 |
| B | SER218 |
| B | HOH525 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 403 |
| Chain | Residue |
| B | ARG50 |
| B | PRO307 |
| B | THR308 |
| B | HOH579 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 404 |
| Chain | Residue |
| B | LEU13 |
| B | TYR28 |
| B | HOH610 |
| B | HOH612 |
| D | LEU13 |
| D | TYR28 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 405 |
| Chain | Residue |
| A | ASN77 |
| B | TYR89 |
| B | LYS123 |
| B | HOH601 |
| B | HOH660 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 406 |
| Chain | Residue |
| B | ARG276 |
| B | SER277 |
| B | HOH707 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 407 |
| Chain | Residue |
| B | TYR303 |
| B | HOH611 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 408 |
| Chain | Residue |
| B | ALA164 |
| B | GLU168 |
| B | GLU242 |
| B | SER289 |
| B | PHE291 |
| B | HOH522 |
| D | HOH610 |
| site_id | AD3 |
| Number of Residues | 14 |
| Details | binding site for residue UMP C 401 |
| Chain | Residue |
| C | ARG22 |
| C | CSX197 |
| C | HIS198 |
| C | GLN216 |
| C | ARG217 |
| C | SER218 |
| C | ALA219 |
| C | ASP220 |
| C | ASN228 |
| C | HIS258 |
| C | TYR260 |
| C | HOH545 |
| D | ARG177 |
| D | ARG178 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue EDO C 402 |
| Chain | Residue |
| C | LEU13 |
| C | TYR28 |
| C | HOH541 |
| site_id | AD5 |
| Number of Residues | 25 |
| Details | binding site for residue FFO D 401 |
| Chain | Residue |
| D | ILE80 |
| D | TRP81 |
| D | TRP84 |
| D | LEU194 |
| D | CME197 |
| D | HIS198 |
| D | ASP220 |
| D | GLY224 |
| D | PHE227 |
| D | ASN228 |
| D | ILE313 |
| D | ALA314 |
| D | HOH514 |
| D | HOH540 |
| D | HOH555 |
| D | HOH559 |
| D | HOH587 |
| D | HOH607 |
| D | HOH609 |
| D | HOH627 |
| D | HOH646 |
| D | HOH673 |
| D | HOH709 |
| D | HOH717 |
| D | LEU55 |
| site_id | AD6 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 D 402 |
| Chain | Residue |
| C | ARG177 |
| C | ARG178 |
| D | ARG22 |
| D | CME197 |
| D | ARG217 |
| D | SER218 |
| D | HOH551 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 403 |
| Chain | Residue |
| D | ARG276 |
| D | SER277 |
| D | HOH521 |
| D | HOH568 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 404 |
| Chain | Residue |
| D | PHE18 |
| D | TYR28 |
| D | GLN261 |
| D | HOH503 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue EDO D 405 |
| Chain | Residue |
| B | HOH581 |
| D | GLU168 |
| D | GLU242 |
| D | SER289 |
| D | PHE291 |
| D | HOH531 |
| site_id | AE1 |
| Number of Residues | 1 |
| Details | binding site for residue CL D 406 |
| Chain | Residue |
| D | THR308 |
Functional Information from PROSITE/UniProt
| site_id | PS00091 |
| Number of Residues | 29 |
| Details | THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RrlIvsaWNpedvpsma.....LpPCHtmfQFyV |
| Chain | Residue | Details |
| B | ARG177-VAL205 | |
| A | ARG177-VAL205 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_00008 |
| Chain | Residue | Details |
| B | CME197 | |
| D | CME197 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: in other chain => ECO:0000255|HAMAP-Rule:MF_00008 |
| Chain | Residue | Details |
| B | ARG22 | |
| B | ARG217 | |
| B | ASN228 | |
| B | HIS258 | |
| D | ARG22 | |
| D | ARG217 | |
| D | ASN228 | |
| D | HIS258 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00008 |
| Chain | Residue | Details |
| B | ARG177 | |
| B | ASP220 | |
| B | ALA314 | |
| D | ARG177 | |
| D | ASP220 | |
| D | ALA314 |
