› 5xra

X-ray diffraction
2.8Å resolution

Crystal structure of the human CB1 in complex with agonist AM11542

Released:
DOI: 10.2210/pdb5xra/pdb
PDB entry 5xra coloured by chain, front view.
PDB entry 5xra coloured by chain, side view.
PDB entry 5xra coloured by chain, top view.
Source organisms:
Primary publication:
Crystal structures of agonist-bound human cannabinoid receptor CB1.
Hua T, Vemuri K, Nikas SP, Laprairie RB, Wu Y, Qu L, Pu M, Korde A, Jiang S, Ho JH, Han GW, Ding K, Li X, Liu H, Hanson MA, Zhao S, Bohn LM, Makriyannis A, Stevens RC, Liu ZJ
Nature 547 468-471 (2017)
PMID: 28678776

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132392 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cannabinoid receptor 1; Flavodoxin Chain: A
Molecule details ›
Chain: A
Length: 438 amino acids
Theoretical weight: 48.63 KDa
Source organisms: Expression system: Homo sapiens
UniProt:
  • Canonical: P21554 (Residues: 99-306, 332-414; Coverage: 62%)
  • Canonical: P00323 (Residues: 3-148; Coverage: 99%)
Gene names: CNR, CNR1, DVU_2680
Sequence domains:

Ligands and Environments

6 bound ligands:
Ligand FMN 1 x FMN
Ligand 8D3 1 x 8D3
Ligand OLA 2 x OLA
Ligand OLC 2 x OLC
Ligand PEG 1 x PEG
Ligand CLR 1 x CLR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Unit cell:
a: 66.05Å b: 75.87Å c: 138.9Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.235 0.234 0.252
Expression system: Homo sapiens

Quick links

Citations

60 review citations

Cannabinoid Receptors and the Endocannabinoid System: Signaling and Function in the Central Nervous System.
Zou et al. (2018)
59 more

61 mentions without citation

G protein-coupled receptors: structure- and function-based drug discovery.
Yang et al. (2021)
60 more