5JFE
Flavin-dependent thymidylate synthase with H2-dUMP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004799 | molecular_function | thymidylate synthase activity |
| 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 | 0032259 | biological_process | methylation |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| A | 0070402 | molecular_function | NADPH binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 29 |
| Details | binding site for residue FAD A 301 |
| Chain | Residue |
| A | SER30 |
| A | GLU86 |
| A | SER88 |
| A | TYR91 |
| A | ASN163 |
| A | ARG165 |
| A | ASN169 |
| A | LEU173 |
| A | ARG174 |
| A | HIS178 |
| A | UMC302 |
| A | THR55 |
| A | EDO304 |
| A | EDO306 |
| A | HOH421 |
| A | HOH425 |
| A | HOH438 |
| A | HOH451 |
| A | HOH452 |
| A | HOH453 |
| A | HOH487 |
| A | HOH488 |
| A | GLU58 |
| A | ARG78 |
| A | HIS79 |
| A | ARG80 |
| A | ILE81 |
| A | ILE81 |
| A | ASN85 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | binding site for residue UMC A 302 |
| Chain | Residue |
| A | GLN75 |
| A | ARG78 |
| A | GLU86 |
| A | LEU87 |
| A | SER88 |
| A | GLY89 |
| A | ARG90 |
| A | ARG147 |
| A | ARG174 |
| A | FAD301 |
| A | EDO303 |
| A | HOH406 |
| A | HOH454 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | ARG74 |
| A | LEU87 |
| A | GLY89 |
| A | THR156 |
| A | UMC302 |
| A | HOH408 |
| A | HOH417 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 304 |
| Chain | Residue |
| A | SER30 |
| A | HIS53 |
| A | THR55 |
| A | ASN85 |
| A | FAD301 |
| A | EDO306 |
| A | HOH412 |
| A | HOH445 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | ILE113 |
| A | ARG117 |
| A | LYS121 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 306 |
| Chain | Residue |
| A | PHE31 |
| A | HIS53 |
| A | TYR91 |
| A | FAD301 |
| A | EDO304 |
| A | HOH443 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 307 |
| Chain | Residue |
| A | LYS93 |
| A | SER95 |
| A | TYR96 |
| A | TYR96 |
| A | GLU97 |
| A | TYR130 |
| A | LEU134 |
| A | HOH407 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Involved in ionization of N3 of dUMP, leading to its activation => ECO:0000269|PubMed:27214228 |
| Chain | Residue | Details |
| A | ARG174 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW |
| Chain | Residue | Details |
| A | THR55 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS |
| Chain | Residue | Details |
| A | GLN75 | |
| A | ARG174 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW |
| Chain | Residue | Details |
| A | ARG78 | |
| A | GLU86 | |
| A | ASN163 | |
| A | ASN169 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | BINDING: in other chain => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS |
| Chain | Residue | Details |
| A | ARG147 |
