3V01
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 | Dual specificity mitogen-activated protein kinase kinase 1 | polymer | 341 | 37930.6 | 1 | UniProt (Q02750) Pfam (PF00069) In PDB | Homo sapiens (human) | MAP kinase kinase 1, MAPKK 1, MKK1, ERK activator kinase 1, MAPK/ERK kinase 1, MEK 1 |
2 | A | N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide | non-polymer | 487.2 | 1 | Chemie (3V0) | |||
3 | A | ADENOSINE-5'-TRIPHOSPHATE | non-polymer | 507.2 | 1 | Chemie (ATP) | |||
4 | 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 | 1018.7 | |
All* | Total formula weight | 38949.3 |