8AOA
Covalent and non-covalent inhibitor of ERK2 (two sites)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Mitogen-activated protein kinase 1 | polymer | 368 | 42551.9 | 1 | UniProt (P28482) Pfam (PF00069) In PDB | 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 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
4 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
5 | A | ~{N}-pyridin-3-ylprop-2-enamide | non-polymer | 148.2 | 1 | Chemie (N83) | |||
6 | A | ~{N}-pyridin-3-ylpropanamide | non-polymer | 150.2 | 1 | Chemie (OZU) | |||
7 | water | water | 18.0 | 473 | 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 | 7 |
Total formula weight | 658.7 | |
All* | Total formula weight | 43210.7 |