4QYY
Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
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 1 | polymer | 365 | 42230.5 | 1 | UniProt (P63086) Pfam (PF00069) | Rattus norvegicus (brown rat rat rats) | MAP kinase 1, MAPK 1, ERT1, Extracellular signal-regulated kinase 2, ERK-2, MAP kinase isoform p42, p42-MAPK, Mitogen-activated protein kinase 2, MAP kinase 2, MAPK 2 |
| 2 | B (A) | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide | non-polymer | 485.0 | 1 | Chemie (3G7) | |||
| 3 | C, D, E (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 4 | F (A) | water | water | 18.0 | 188 | Chemie (HOH) |
Sequence modifications
A: 1 - 358 (UniProt: P63086)
| PDB | External Database | Details |
|---|---|---|
| Ala -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 42230.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 773.2 | |
| All* | Total formula weight | 43003.7 |
