9CZX
HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 21
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, B (A, B) | Mitogen-activated protein kinase kinase kinase kinase 1 | polymer | 309 | 34504.9 | 2 | UniProt (Q92918) Pfam (PF00069) | Homo sapiens (human) | Hematopoietic progenitor kinase,MAPK/ERK kinase kinase kinase 1,MEKKK 1 |
| 2 | C, E, F (A, B) | 4-[(1R)-1-aminopropyl]-2-{6-[(4S,5S)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]pyridin-2-yl}-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one | non-polymer | 472.6 | 3 | Chemie (A1A1B) | |||
| 3 | D (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 418 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 307 (UniProt: Q92918)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | 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 | 2 |
| Total formula weight | 69009.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1453.2 | |
| All* | Total formula weight | 70463.0 |
