3V04
Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Dual specificity mitogen-activated protein kinase kinase 1 | polymer | 341 | 37930.6 | 1 | UniProt (Q02750) Pfam (PF00069) | Homo sapiens (human) | MAP kinase kinase 1, MAPKK 1, MKK1, ERK activator kinase 1, MAPK/ERK kinase 1, MEK 1 |
| 2 | B (A) | 4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide | non-polymer | 456.2 | 1 | Chemie (V04) | |||
| 3 | C (A) | ADENOSINE-5'-TRIPHOSPHATE | non-polymer | 507.2 | 1 | Chemie (ATP) | |||
| 4 | D (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) |
Sequence modifications
A: 62 - 393 (UniProt: Q02750)
| PDB | External Database | Details |
|---|---|---|
| Met 61 | - | expression tag |
| Leu 394 | - | expression tag |
| Glu 395 | - | expression tag |
| His 396 | - | expression tag |
| His 397 | - | expression tag |
| His 398 | - | expression tag |
| His 399 | - | expression tag |
| His 400 | - | expression tag |
| His 401 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37930.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 987.7 | |
| All* | Total formula weight | 38918.3 |
