7W5O
Crystal structure of ERK2 with an allosteric inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Mitogen-activated protein kinase 1 | polymer | 368 | 42310.4 | 2 | 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 | C (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 | D, H, I, K, M... (A, B) | MALONIC ACID | non-polymer | 104.1 | 6 | Chemie (MLA) | |||
| 4 | E, G (A) | SUCCINIC ACID | non-polymer | 118.1 | 2 | Chemie (SIN) | |||
| 5 | F (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 6 | J, O (A, B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
| 7 | L (B) | D(-)-TARTARIC ACID | non-polymer | 150.1 | 1 | Chemie (TAR) | |||
| 8 | P (B) | 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine | non-polymer | 481.5 | 1 | Chemie (6GI) | |||
| 9 | Q, R (A, B) | water | water | 18.0 | 119 | 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 | 14 |
| Total formula weight | 2383.9 | |
| All* | Total formula weight | 87004.7 |
