8AOH
Specific covalent inhibitor(18) of ERK2
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 | 368 | 42551.9 | 1 | UniProt (P28482) Pfam (PF00069) | Homo sapiens (human) | MAPK 1,ERT1,Extracellular signal-regulated kinase 2,ERK-2,MAP kinase isoform p42,p42-MAPK,Mitogen-activated protein kinase 2,MAPK 2 |
| 2 | B (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 3 | C (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 4 | D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | E (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 6 | F, G (A) | ~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide | non-polymer | 212.3 | 2 | Chemie (N96) | |||
| 7 | H (A) | water | water | 18.0 | 480 | Chemie (HOH) |
Sequence modifications
A: 1 - 360 (UniProt: P28482)
| PDB | External Database | Details |
|---|---|---|
| Met -7 | - | initiating methionine |
| 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 | 42551.9 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 766.9 | |
| All* | Total formula weight | 43318.8 |
