Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a negative allosteric modulator

Structure

x-ray diffraction · 2 distinct chains · 76% helix, 3% strand (DSSP).

Ligands and binding sites

• CLR · Cholesterol · ligand · 6 copies · chains A, B
• FM9 · 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide · ligand · 2 copies · chains A, B
• OLA · Oleic acid · ligand · chains A
• PO4 · Phosphate ion · ion · 2 copies · chains B
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1032 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 4OR2 · Human class C G protein-coupled metabotropic glutamate receptor 1 in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
• Q13255 · AlphaFold monomer V2.0 prediction for metabotropic glutamate receptor 1 (Q13255) · a predicted model of the same protein · chain B against A, TM-score 0.70
• P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.29

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 P0ABE7
• Every structure of UniProt Q13255
• Elsewhere: RCSB PDB 4OR2 · PDBe 4OR2 · UniProt P0ABE7 · UniProt Q13255