7X4U
Crystal structure of ERK2 with an allosteric inhibitor 2
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 | 42231.4 | 1 | UniProt (P28482) Pfam (PF00069) | 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 | B (A) | (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 | 1 | Chemie (5ID) | |||
| 3 | C (A) | N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(3,4-dimethylphenyl)-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]ethanamide | non-polymer | 432.4 | 1 | Chemie (8DK) | |||
| 4 | D, F, G (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 5 | E (A) | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 209.2 | 1 | Chemie (BTB) | |||
| 6 | H (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | I (A) | water | water | 18.0 | 186 | Chemie (HOH) |
Sequence modifications
A: 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 | 1 |
| Total formula weight | 42231.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1406.2 | |
| All* | Total formula weight | 43637.6 |
