Crystal structure of ERK2 with an allosteric inhibitor

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• 5ID · (2R,3R,4S,5R)-2-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3, 4-diol · ligand · chains A
• 6GI · 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 · ligand · chains A, B
• NA · Sodium ion · metal · chains A
• MLA · Malonic acid · additive · 6 copies · chains A, B
• SIN · Succinic acid · additive · 2 copies · chains A
• EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B
• TAR · D(-)-tartaric acid · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 7W5O · Crystal structure of ERK2 with an allosteric inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P28482
• Elsewhere: RCSB PDB 7W5O · PDBe 7W5O · UniProt P28482