9H8F
Crystal structure of HPK1 T165E/S171E in complex with pyrazine carboxamide inhibitor AZ3246 (compound 24)
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Mitogen-activated protein kinase kinase kinase kinase 1 | polymer | 294 | 32948.2 | 1 | UniProt (Q92918) Pfam (PF00069) | Homo sapiens (human) | Hematopoietic progenitor kinase,MAPK/ERK kinase kinase kinase 1,MEK kinase kinase 1,MEKKK 1 |
| 2 | B (A) | 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[3-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide | non-polymer | 471.4 | 1 | Chemie (A1ITB) | |||
| 3 | C, D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 4 | E (A) | water | water | 18.0 | 274 | Chemie (HOH) |
Sequence modifications
A: 2 - 293 (UniProt: Q92918)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Ser 1 | - | expression tag |
| Glu 165 | Thr 165 | engineered mutation |
| Glu 171 | Ser 171 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 32948.2 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 595.6 | |
| All* | Total formula weight | 33543.8 |
