4ISK
Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, D, E...) | Thymidylate synthase | polymer | 264 | 30559.7 | 8 | UniProt (P0A884) Pfam (PF00303) | Escherichia coli | TS, TSase |
| 2 | I, O, Z (A, C, G) | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE | non-polymer | 308.2 | 3 | Chemie (UMP) | |||
| 3 | AA, DA, J, M, P... (G, H, A, B, C...) | MAGNESIUM ION | non-polymer | 24.3 | 7 | Chemie (MG) | |||
| 4 | BA, EA, K, N, Q... (G, H, A, B, C...) | N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid | non-polymer | 647.6 | 8 | Chemie (1JY) | |||
| 5 | CA, L, R, U, X (H, B, D, E, F) | 2'-deoxy-5'-uridylic acid | non-polymer | 310.2 | 5 | Chemie (UMC) | |||
| 6 | FA, GA, HA, IA, JA... (A, B, C, D, E...) | water | water | 18.0 | 1000 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F, G, H: 2 - 264 (UniProt: P0A884)
| PDB | External Database | Details |
|---|---|---|
| Cxm 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 244477.3 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 7826.7 | |
| All* | Total formula weight | 252304.1 |
