Crystal structure of the mu-opioid receptor bound to a morphinan antagonist

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 5% strand (DSSP).

Ligands and binding sites

• MPG · [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate · ligand · 2 copies · chains A
• BF0 · methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate · ligand · chains A
• CLR · Cholesterol · ligand · chains A
• SO4 · Sulfate ion · ion · 12 copies · chains A
• CL · Chloride ion · ion · chains A
• 1PE · Pentaethylene glycol · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

• 4DKL · Crystal structure of the mu-opioid receptor bound to a morphinan antagonist · the same entry in another collection · chain A against A, TM-score 1.00
• P42866 · AlphaFold monomer V2.0 prediction for mu-type opioid receptor (P42866) · a predicted model of the same protein · chain A against A, TM-score 0.61

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 P42866
• Every structure of UniProt P00720
• Elsewhere: RCSB PDB 4DKL · PDBe 4DKL · UniProt P42866 · UniProt P00720