4J52
Crystal structure of PLK1 in complex with a pyrimidodiazepinone inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Serine/threonine-protein kinase PLK1 | polymer | 293 | 33752.4 | 1 | UniProt (P53350) Pfam (PF00069) | Homo sapiens (human) | Polo-like kinase 1, PLK-1, Serine/threonine-protein kinase 13, STPK13 |
| 2 | B (A) | 4-{[(7R)-9-cyclopentyl-7-ethenyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl]amino}-3-methoxy-N-(4-methylpiperazin-1-yl)benzamide | non-polymer | 552.6 | 1 | Chemie (1J3) | |||
| 3 | C (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | D (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 5 | E (A) | water | water | 18.0 | 122 | Chemie (HOH) |
Sequence modifications
A: 38 - 330 (UniProt: P53350)
| PDB | External Database | Details |
|---|---|---|
| Val 210 | Thr 210 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33752.4 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 677.1 | |
| All* | Total formula weight | 34429.5 |
