5IME
Crystal structure of P21-activated kinase 1 (PAK1) in complex with compound 9
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 PAK 1 | polymer | 300 | 33544.5 | 2 | UniProt (Q13153) Pfam (PF00069) | Homo sapiens (Human) | Alpha-PAK,p21-activated kinase 1,PAK-1,p65-PAK |
| 2 | C, D (A, B) | 8-(3-aminopropyl)-6-[2-chloro-4-(3-methyl-2-oxopyrazin-1(2H)-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one | non-polymer | 451.9 | 2 | Chemie (6BZ) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 182 | Chemie (HOH) |
Sequence modifications
A, B: 249 - 545 (UniProt: Q13153)
| PDB | External Database | Details |
|---|---|---|
| Asn 389 | Asp 389 | conflict |
| Glu 423 | Thr 423 | conflict |
| Gly 546 | - | expression tag |
| Asn 547 | - | expression tag |
| Ser 548 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 67089.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 903.8 | |
| All* | Total formula weight | 67992.8 |
