Crystal structure of human lysophosphatidic acid receptor 1 in complex with ONO9780307

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 1% strand (DSSP).

Ligands and binding sites

• ON7 · {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-(methoxycarbonyl)-1 H-pyrrol-3-yl}acetic acid · ligand · chains A
• 1WV · (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate · ligand · chains A

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

Pockets

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

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

• 4Z34 · Crystal Structure of Human Lysophosphatidic Acid Receptor 1 in complex with ONO9780307 · the same entry in another collection · chain A against A, TM-score 1.00
• Q92633 · AlphaFold monomer V2.0 prediction for lysophosphatidic acid receptor 1 (Q92633) · a predicted model of the same protein · chain A against A, TM-score 0.77
• P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.27

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 Q92633
• Every structure of UniProt P0ABE7
• Elsewhere: RCSB PDB 4Z34 · PDBe 4Z34 · UniProt Q92633 · UniProt P0ABE7