4ZY6
Crystal structure of P21-activated kinase 1 in complex with an inhibitor compound 29
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 | 301 | 33573.5 | 2 | UniProt (Q13153) Pfam (PF00069) | Homo sapiens (Human) | Alpha-PAK,p21-activated kinase 1,PAK-1,p65-PAK |
| 2 | C, E (A, B) | N~2~-[(7-chloro-1H-benzimidazol-6-yl)methyl]-N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine | non-polymer | 380.8 | 2 | Chemie (4T6) | |||
| 3 | D (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | F, G (A, B) | water | water | 18.0 | 244 | Chemie (HOH) |
Sequence modifications
A, B: 249 - 545 (UniProt: Q13153)
| PDB | External Database | Details |
|---|---|---|
| Gly 248 | - | expression tag |
| Asn 389 | Asp 389 | engineered mutation |
| 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 | 67147.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 857.7 | |
| All* | Total formula weight | 68004.8 |
