4O0T
Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Serine/threonine-protein kinase PAK 1 | polymer | 300 | 33544.5 | 2 | UniProt (Q13153) Pfam (PF00069) In PDB | Homo sapiens (human) | Alpha-PAK, p21-activated kinase 1, PAK-1, p65-PAK |
| 2 | A | 1-({1-(2-aminopyrimidin-4-yl)-2-[(2-methoxyethyl)amino]-1H-benzimidazol-6-yl}ethynyl)cyclohexanol | non-polymer | 406.5 | 1 | Chemie (2OL) | |||
| 3 | water | water | 18.0 | 23 | 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 | 1 |
| Total formula weight | 406.5 | |
| All* | Total formula weight | 67495.5 |
