3QJ7
Crystal Structure of the Mycobacterium tuberculosis Thymidylate synthase (ThyA) bound to 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 |
| A | 0046079 | biological_process | dUMP catabolic process |
| A | 0046677 | biological_process | response to antibiotic |
| 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 |
| B | 0046079 | biological_process | dUMP catabolic process |
| B | 0046677 | biological_process | response to antibiotic |
| 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 |
| C | 0046079 | biological_process | dUMP catabolic process |
| C | 0046677 | biological_process | response to antibiotic |
| 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 |
| D | 0046079 | biological_process | dUMP catabolic process |
| D | 0046677 | biological_process | response to antibiotic |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE UMP A 600 |
| Chain | Residue |
| A | ARG21 |
| A | ASN177 |
| A | HIS207 |
| A | TYR209 |
| A | HOH315 |
| A | HOH346 |
| C | ARG126 |
| C | ARG127 |
| A | CYS146 |
| A | HIS147 |
| A | GLN165 |
| A | ARG166 |
| A | SER167 |
| A | ALA168 |
| A | ASP169 |
| A | GLY173 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE SPM A 264 |
| Chain | Residue |
| A | ARG120 |
| A | ALA190 |
| A | GLN191 |
| A | ALA233 |
| A | ASP234 |
| A | ARG235 |
| A | ASP236 |
| A | TYR241 |
| A | HOH1632 |
| A | HOH1642 |
| D | GLY193 |
| D | SER195 |
| D | HOH808 |
| site_id | AC3 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE UMP B 601 |
| Chain | Residue |
| B | CYS146 |
| B | HIS147 |
| B | GLN165 |
| B | ARG166 |
| B | SER167 |
| B | ASP169 |
| B | GLY173 |
| B | ASN177 |
| B | HIS207 |
| B | TYR209 |
| B | HOH527 |
| B | HOH1245 |
| B | HOH1657 |
| D | ARG126 |
| D | ARG127 |
| site_id | AC4 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE UMP C 602 |
| Chain | Residue |
| A | ARG126 |
| A | ARG127 |
| C | CYS146 |
| C | HIS147 |
| C | GLN165 |
| C | ARG166 |
| C | SER167 |
| C | ALA168 |
| C | ASP169 |
| C | GLY173 |
| C | ASN177 |
| C | HIS207 |
| C | TYR209 |
| C | HOH282 |
| C | HOH313 |
| site_id | AC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE UMP D 603 |
| Chain | Residue |
| B | ARG126 |
| B | ARG127 |
| D | CYS146 |
| D | HIS147 |
| D | GLN165 |
| D | ARG166 |
| D | SER167 |
| D | ASP169 |
| D | GLY173 |
| D | ASN177 |
| D | HIS207 |
| D | TYR209 |
| D | HOH290 |
Functional Information from PROSITE/UniProt
| site_id | PS00091 |
| Number of Residues | 29 |
| Details | THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RriIvsaWNvgeierma.....LpPCHaffQFyV |
| Chain | Residue | Details |
| A | ARG126-VAL154 |
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 | PHE149 | |
| B | PHE149 | |
| C | PHE149 | |
| D | PHE149 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | BINDING: in other chain => ECO:0000269|Ref.8, ECO:0007744|PDB:3QJ7, ECO:0007744|PDB:4FOX, ECO:0007744|PDB:4FQS |
| Chain | Residue | Details |
| A | THR24 | |
| C | ASP169 | |
| C | SER180 | |
| C | ASP210 | |
| D | THR24 | |
| D | ASP169 | |
| D | SER180 | |
| D | ASP210 | |
| A | ASP169 | |
| A | SER180 | |
| A | ASP210 | |
| B | THR24 | |
| B | ASP169 | |
| B | SER180 | |
| B | ASP210 | |
| C | THR24 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|Ref.8, ECO:0007744|PDB:4FOG |
| Chain | Residue | Details |
| A | SER54 | |
| D | SER54 | |
| D | LEU172 | |
| D | ALA262 | |
| A | LEU172 | |
| A | ALA262 | |
| B | SER54 | |
| B | LEU172 | |
| B | ALA262 | |
| C | SER54 | |
| C | LEU172 | |
| C | ALA262 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|Ref.8, ECO:0007744|PDB:3QJ7, ECO:0007744|PDB:4FOX, ECO:0007744|PDB:4FQS |
| Chain | Residue | Details |
| A | ILE129 | |
| B | ILE129 | |
| C | ILE129 | |
| D | ILE129 |
