9R1X
PLK1 SURFACE ENTROPY REDUCTION (SER) MUTANT IN COMPLEX WITH INHIBITOR BI 2536
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Serine/threonine-protein kinase PLK1 | polymer | 325 | 36546.4 | 2 | UniProt (P53350) Pfam (PF00069) | Homo sapiens (human) | Polo-like kinase 1,PLK-1,Serine/threonine-protein kinase 13,STPK13 |
| 2 | C, H (A, B) | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | non-polymer | 521.7 | 2 | Chemie (R78) PubChem (11364421) PubChem (86295201) PubChem (11577250) | |||
| 3 | D, E, F, G, I... (A, B) | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 4 | K (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 5 | M, N (A, B) | water | water | 18.0 | 64 | Chemie (HOH) |
Sequence modifications
A, B: 18 - 340 (UniProt: P53350)
| PDB | External Database | Details |
|---|---|---|
| Gly 16 | - | expression tag |
| Ser 17 | - | expression tag |
| Asp 225 | Lys 225 | engineered mutation |
| Ala 226 | Lys 226 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 73092.8 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1807.8 | |
| All* | Total formula weight | 74900.6 |
