4EWQ
Human p38 alpha MAPK in complex with a pyridazine based inhibitor
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 14 | polymer | 383 | 44035.9 | 1 | UniProt (Q16539) Pfam (PF00069) | Homo sapiens (human) | MAP kinase 14, MAPK 14, Cytokine suppressive anti-inflammatory drug-binding protein, CSAID-binding protein, CSBP, MAP kinase MXI2, MAX-interacting protein 2, Mitogen-activated protein kinase p38 alpha, MAP kinase p38 alpha, Stress-activated protein kinase 2a, SAPK2a |
| 2 | B (A) | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE | non-polymer | 239.2 | 1 | Chemie (GG5) | |||
| 3 | C, D (A) | 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine | non-polymer | 395.5 | 2 | Chemie (MWL) | |||
| 4 | E (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | F (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | G (A) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 1 | Chemie (BME) | |||
| 7 | H (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | I (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 9 | J (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 10 | K (A) | water | water | 18.0 | 120 | Chemie (HOH) |
Sequence modifications
A: 2 - 360 (UniProt: Q16539)
| PDB | External Database | Details |
|---|---|---|
| Met -22 | - | expression tag |
| His -21 | - | expression tag |
| His -20 | - | expression tag |
| His -19 | - | expression tag |
| His -18 | - | expression tag |
| His -17 | - | expression tag |
| His -16 | - | expression tag |
| Ser -15 | - | expression tag |
| Ser -14 | - | expression tag |
| Gly -13 | - | expression tag |
| Val -12 | - | expression tag |
| Asp -11 | - | expression tag |
| Leu -10 | - | expression tag |
| Gly -9 | - | expression tag |
| Thr -8 | - | expression tag |
| Glu -7 | - | expression tag |
| Asn -6 | - | expression tag |
| Leu -5 | - | expression tag |
| Tyr -4 | - | expression tag |
| Phe -3 | - | expression tag |
| Gln -2 | - | expression tag |
| Ser -1 | - | expression tag |
| Asn 0 | - | expression tag |
| Ala 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 44035.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1466.4 | |
| All* | Total formula weight | 45502.3 |
