The crystal structure of NOCICEPTIN/ORPHANIN fq peptide receptor (nop) in complex with sb-612111 (psi community target)

Structure

x-ray diffraction · 2 distinct chains · 80% helix, 2% strand (DSSP).

Ligands and binding sites

• OLA · Oleic acid · ligand · 7 copies · chains A, B
• DGW · (5S,7S)-7-{[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl}-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol · ligand · 2 copies · chains A, B
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · chains B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 493 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 5DHH · The crystal structure of nociceptin/orphanin FQ peptide receptor (NOP) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• P41146 · AlphaFold monomer V2.0 prediction for nociceptin receptor (P41146) · a predicted model of the same protein · chain A against A, TM-score 0.98
• P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain B against A, TM-score 0.26

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 P41146
• Elsewhere: RCSB PDB 5DHH · PDBe 5DHH · UniProt P0ABE7 · UniProt P41146