9R8B
CRYSTAL STRUCTURE OF WILD-TYPE PLK1 KINASE DOMAIN IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1 AND A SELECTIVE DARPIN
This is a non-PDB format compatible entry.
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 | 315 | 35972.9 | 2 | UniProt (P53350) Pfam (PF00069) | Homo sapiens (human) | Polo-like kinase 1,PLK-1,Serine/threonine-protein kinase 13,STPK13 |
| 2 | C, D (C, D) | DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN), variant 3H10 | polymer | 167 | 17836.0 | 2 | Homo sapiens | ||
| 3 | E, H (A, B) | (2~{Z})-2-cyano-2-[3-ethyl-5-[(~{E})-[2-[methyl-(1-methylpiperidin-4-yl)amino]pyridin-4-yl]iminomethyl]-4-oxidanylidene-1,3-thiazol-2-ylidene]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide | non-polymer | 523.6 | 2 | Chemie (A1JCP) | |||
| 4 | F, I (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | G (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | J, K, L, M (A, B, C, D) | water | water | 18.0 | 388 | Chemie (HOH) |
Sequence modifications
A, B: 33 - 345 (UniProt: P53350)
| PDB | External Database | Details |
|---|---|---|
| Gly 31 | - | expression tag |
| Ser 32 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 107617.7 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1266.8 | |
| All* | Total formula weight | 108884.5 |
