3GC9
The structure of p38beta C119S, C162S in complex with a dihydroquinazolinone inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Mitogen-activated protein kinase 11 | polymer | 370 | 42030.8 | 2 | UniProt (Q15759) Pfam (PF00069) In PDB | Homo sapiens (human) | Mitogen-activated protein kinase p38 beta, MAP kinase p38 beta, p38b, p38-2, Stress-activated protein kinase 2 |
| 2 | A, B | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 3 | A, B | 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one | non-polymer | 546.9 | 2 | Chemie (B45) | |||
| 4 | B | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | water | water | 18.0 | 346 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 364 (UniProt: Q15759)
| PDB | External Database | Details |
|---|---|---|
| Gly -5 | - | expression tag |
| Ser -4 | - | expression tag |
| His -3 | - | expression tag |
| Met -2 | - | expression tag |
| Leu -1 | - | expression tag |
| Glu 0 | - | expression tag |
| Ser 119 | Cys 119 | engineered mutation |
| Ser 162 | Cys 162 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 84061.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1205.2 | |
| All* | Total formula weight | 85266.7 |
