GPR40 in complex with partial agonist mk-8666

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 4% strand (DSSP).

Ligands and binding sites

• MK6 · (5ar,6s,6as)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl) propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5A,6,6A-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid · ligand · chains A
• NA · Sodium ion · metal · chains A
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 8 copies · chains A
• 1PE · Pentaethylene glycol · additive · 2 copies · chains A
• MLI · Malonate ion · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 5TZR · GPR40 in complex with partial agonist MK-8666 · the same entry in another collection · chain A against A, TM-score 1.00
• O14842 · AlphaFold monomer V2.0 prediction for free fatty acid receptor 1 (O14842) · a predicted model of the same protein · chain A against A, TM-score 0.62

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 O14842
• Every structure of UniProt P00720
• Elsewhere: RCSB PDB 5TZR · PDBe 5TZR · UniProt O14842 · UniProt P00720