4EQC
Crystal structure of PAK1 kinase domain in complex with FRAX597 inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Serine/threonine-protein kinase PAK 1 | polymer | 301 | 33827.7 | 1 | UniProt (Q13153) Pfam (PF00069) | Homo sapiens (human) | Alpha-PAK, p21-activated kinase 1, PAK-1, p65-PAK |
| 2 | B (A) | 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one | non-polymer | 558.1 | 1 | Chemie (XR1) | |||
| 3 | C, D (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | E (A) | water | water | 18.0 | 216 | Chemie (HOH) |
Sequence modifications
A: 249 - 545 (UniProt: Q13153)
| PDB | External Database | Details |
|---|---|---|
| Asp 1 | - | expression tag |
| Pro 2 | - | expression tag |
| Phe 3 | - | expression tag |
| Thr 4 | - | expression tag |
| Arg 299 | Lys 299 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33827.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 629.0 | |
| All* | Total formula weight | 34456.7 |
