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) PubChem (16760523) PubChem (23919584) PubChem (25880707) PubChem (26248662) PubChem (35028380) PubChem (46875276) PubChem (51386958) PubChem (51537014) PubChem (45039587) PubChem (59583554) PubChem (59583625) PubChem (1830) PubChem (97297) PubChem (6419781) PubChem (9886793) PubChem (134695308) PubChem (14221929) | |||
| 3 | D, H, I, K, M... (A, B) | MALONIC ACID | non-polymer | 104.1 | 6 | Chemie (MLA) PubChem (867) | |||
| 4 | E, G (A) | SUCCINIC ACID | non-polymer | 118.1 | 2 | Chemie (SIN) PubChem (1110) | |||
| 5 | F (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 6 | J, O (A, B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) PubChem (23831) | |||
| 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 |
