4QTB
Structure of human ERK1 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
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 3 | polymer | 380 | 43277.6 | 2 | UniProt (P27361) Pfam (PF00069) | Homo sapiens (human) | MAP kinase 3, MAPK 3, ERT2, Extracellular signal-regulated kinase 1, ERK-1, Insulin-stimulated MAP2 kinase, MAP kinase isoform p44, p44-MAPK, Microtubule-associated protein 2 kinase, p44-ERK1 |
| 2 | AA, C, D, E, F... (B, A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 20 | Chemie (EDO) | |||
| 3 | BA, P, Q (B, A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 4 | CA, DA, R (B, A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | EA, S (B, A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 6 | FA, T (B, A) | (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide | non-polymer | 587.7 | 2 | Chemie (38Z) | |||
| 7 | GA, HA (A, B) | water | water | 18.0 | 1111 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 379 (UniProt: P27361)
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 86555.1 | |
| Non-Polymers* | Number of molecules | 30 |
| Total formula weight | 2949.6 | |
| All* | Total formula weight | 89504.7 |
