4P90
Crystal structure of the kinase domain of human PAK1 in complex with compound 15
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 | 297 | 33272.2 | 2 | UniProt (Q13153) Pfam (PF00069) In PDB | Homo sapiens (Human) | Alpha-PAK,p21-activated kinase 1,PAK-1,p65-PAK |
| 2 | A, B | [2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone | non-polymer | 435.9 | 2 | Chemie (2K0) | |||
| 3 | water | water | 18.0 | 43 | Chemie (HOH) |
Sequence modifications
A, B: 249 - 545 (UniProt: Q13153)
| PDB | External Database | Details |
|---|---|---|
| Asn 389 | Asp 389 | engineered mutation |
| Glu 423 | Thr 423 | engineered mutation |
| Asp 503 | Glu 503 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 66544.5 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 871.8 | |
| All* | Total formula weight | 67416.3 |
