4ZY5
Crystal Structure of p21-activated kinase 1 in complex with an inhibitor compound 17
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, F (A, B) | N~2~-[(trans-4-aminocyclohexyl)methyl]-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine | non-polymer | 327.4 | 2 | Chemie (4T5) | |||
| 3 | D, E (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | G (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 63 | Chemie (HOH) |
Sequence modifications
A, B: 249 - 545 (UniProt: Q13153)
| PDB | External Database | Details |
|---|---|---|
| Gly 248 | - | expression tag |
| Asn 389 | Asp 389 | 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 | 67147.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 925.1 | |
| All* | Total formula weight | 68072.2 |
