7NR8
Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2
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 | 3 | Chemie (SO4) | |||
3 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
5 | A | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide | non-polymer | 635.2 | 1 | Chemie (UOE) | |||
6 | water | water | 18.0 | 417 | 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 | 8 |
Total formula weight | 1219.8 | |
All* | Total formula weight | 43771.7 |