7XC1
Crystal structure of ERK2 with an allosteric inhibitor 3
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Mitogen-activated protein kinase 1 | polymer | 368 | 42310.4 | 2 | UniProt (P28482) Pfam (PF00069) In PDB | Homo sapiens (human) | 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 | A, B | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL | non-polymer | 392.1 | 2 | Chemie (5ID) | |||
| 3 | A, B | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
| 4 | A, B | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 5 | A | ~{N}-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-[(4-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide | non-polymer | 445.5 | 1 | Chemie (B8Z) | |||
| 6 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | water | water | 18.0 | 178 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 360 (UniProt: P28482)
| PDB | External Database | Details |
|---|---|---|
| Gly -7 | - | expression tag |
| Asp -6 | - | expression tag |
| Leu -5 | - | expression tag |
| Gly -4 | - | expression tag |
| Ser -3 | - | expression tag |
| Asp -2 | - | expression tag |
| Glu -1 | - | expression tag |
| Leu 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 84620.8 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 2170.8 | |
| All* | Total formula weight | 86791.7 |
