6NNR
high-resolution structure of wild-type E. coli thymidylate synthase
Replaces: 4KNZReplaces: 2G8OReplaces: 4IW5Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0003723 | molecular_function | RNA binding |
| 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 | 0006417 | biological_process | regulation of translation |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0009165 | biological_process | nucleotide biosynthetic process |
| A | 0009314 | biological_process | response to radiation |
| A | 0016740 | molecular_function | transferase activity |
| A | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| A | 0032259 | biological_process | methylation |
| A | 0042803 | molecular_function | protein homodimerization activity |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0003723 | molecular_function | RNA binding |
| 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 | 0006417 | biological_process | regulation of translation |
| B | 0008168 | molecular_function | methyltransferase activity |
| B | 0009165 | biological_process | nucleotide biosynthetic process |
| B | 0009314 | biological_process | response to radiation |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| B | 0032259 | biological_process | methylation |
| B | 0042803 | molecular_function | protein homodimerization activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | binding site for residue UMC A 901 |
| Chain | Residue |
| A | ARG21 |
| A | HIS207 |
| A | TYR209 |
| A | CB3902 |
| A | HOH1117 |
| A | HOH1146 |
| B | ARG126 |
| B | ARG127 |
| A | CYS146 |
| A | HIS147 |
| A | GLN165 |
| A | ARG166 |
| A | SER167 |
| A | CYS168 |
| A | ASP169 |
| A | ASN177 |
| site_id | AC2 |
| Number of Residues | 26 |
| Details | binding site for residue CB3 A 902 |
| Chain | Residue |
| A | HIS51 |
| A | GLU58 |
| A | ILE79 |
| A | TRP80 |
| A | TRP83 |
| A | LEU143 |
| A | ASP169 |
| A | GLY173 |
| A | PHE176 |
| A | ASN177 |
| A | TYR209 |
| A | VAL262 |
| A | ALA263 |
| A | UMC901 |
| A | HOH1073 |
| A | HOH1079 |
| A | HOH1086 |
| A | HOH1121 |
| A | HOH1129 |
| A | HOH1134 |
| A | HOH1142 |
| A | HOH1171 |
| A | HOH1173 |
| A | HOH1214 |
| A | HOH1239 |
| A | HOH1250 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue NA A 903 |
| Chain | Residue |
| A | HIS51 |
| A | ASN76 |
| A | HOH1173 |
| A | HOH1214 |
| A | HOH1275 |
| A | HOH1342 |
| site_id | AC4 |
| Number of Residues | 12 |
| Details | binding site for residue EPE A 904 |
| Chain | Residue |
| A | GLN39 |
| A | GLU195 |
| A | HOH1033 |
| A | HOH1046 |
| A | HOH1056 |
| A | HOH1062 |
| A | HOH1064 |
| A | HOH1130 |
| A | HOH1258 |
| B | LYS120 |
| B | ASP193 |
| B | LYS235 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | binding site for residue EPE A 905 |
| Chain | Residue |
| A | ALA155 |
| A | ASP156 |
| A | GLY157 |
| A | HOH1007 |
| A | HOH1031 |
| A | HOH1138 |
| B | HIS217 |
| B | SER221 |
| site_id | AC6 |
| Number of Residues | 25 |
| Details | binding site for residue CB3 B 302 |
| Chain | Residue |
| B | GLU58 |
| B | ILE79 |
| B | TRP80 |
| B | TRP83 |
| B | LEU143 |
| B | ASP169 |
| B | GLY173 |
| B | PHE176 |
| B | ASN177 |
| B | TYR209 |
| B | ILE258 |
| B | VAL262 |
| B | ALA263 |
| B | UMC301 |
| B | HOH440 |
| B | HOH443 |
| B | HOH445 |
| B | HOH482 |
| B | HOH487 |
| B | HOH516 |
| B | HOH535 |
| B | HOH536 |
| B | HOH572 |
| B | HOH626 |
| B | HOH639 |
| site_id | AC7 |
| Number of Residues | 19 |
| Details | binding site for Di-peptide UMC B 301 and CYS B 146 |
| Chain | Residue |
| B | HIS147 |
| B | ALA148 |
| B | GLN165 |
| B | ARG166 |
| B | SER167 |
| B | CYS168 |
| B | ASP169 |
| B | ASN177 |
| B | HIS207 |
| B | TYR209 |
| B | CB3302 |
| B | HOH464 |
| B | HOH493 |
| A | ARG126 |
| A | ARG127 |
| B | ARG21 |
| B | TYR94 |
| B | ALA144 |
| B | PRO145 |
Functional Information from PROSITE/UniProt
| site_id | PS00091 |
| Number of Residues | 29 |
| Details | THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RriIvsaWNvgeldkma.....LaPCHaffQFyV |
| Chain | Residue | Details |
| A | ARG126-VAL154 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_00008, ECO:0000269|PubMed:2223754, ECO:0000269|PubMed:8973201, ECO:0000269|PubMed:9416600 |
| Chain | Residue | Details |
| A | CYS146 | |
| B | CYS146 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: in other chain => ECO:0000269|PubMed:2223754, ECO:0000269|PubMed:8973201, ECO:0007744|PDB:1KCE, ECO:0007744|PDB:2TSC |
| Chain | Residue | Details |
| A | ARG21 | |
| A | ARG166 | |
| A | ASN177 | |
| A | HIS207 | |
| B | ARG21 | |
| B | ARG166 | |
| B | ASN177 | |
| B | HIS207 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:8312270, ECO:0007744|PDB:1TYS |
| Chain | Residue | Details |
| A | HIS51 | |
| A | ASP169 | |
| A | ALA263 | |
| B | HIS51 | |
| B | ASP169 | |
| B | ALA263 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:2223754, ECO:0000269|PubMed:8973201, ECO:0007744|PDB:1KCE, ECO:0007744|PDB:2TSC |
| Chain | Residue | Details |
| A | ARG126 | |
| B | ARG126 |
