6CQF
Crystal structure of HPK1 in complex an inhibitor G1858
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 | 297 | 33120.4 | 1 | UniProt (Q92918) Pfam (PF00069) | Homo sapiens (Human) | HKP1, Hematopoietic progenitor kinase, MAPK/ERK kinase kinase kinase 1, MEKKK 1 |
| 2 | B (A) | N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine | non-polymer | 428.5 | 1 | Chemie (F97) | |||
| 3 | C (A) | water | water | 18.0 | 34 | Chemie (HOH) |
Sequence modifications
A: 2 - 293 (UniProt: Q92918)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Ser 1 | - | expression tag |
| Ala 171 | Ser 171 | conflict |
| Gly 294 | - | expression tag |
| Asn 295 | - | expression tag |
| Ser 296 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33120.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 428.5 | |
| All* | Total formula weight | 33548.9 |
