› 6kqi

X-ray diffraction
3.24Å resolution

Structure of an allosteric modulator bound to the CB1 cannabinoid receptor

Released:
DOI: 10.2210/pdb6kqi/pdb
PDB entry 6kqi coloured by chain, front view.
PDB entry 6kqi coloured by chain, side view.
PDB entry 6kqi coloured by chain, top view.
Source organisms:
Primary publication:
Structure of an allosteric modulator bound to the CB1 cannabinoid receptor.
Shao Z, Yan W, Chapman K, Ramesh K, Ferrell AJ, Yin J, Wang X, Xu Q, Rosenbaum DM
Nat Chem Biol 15 1199-1205 (2019)
PMID: 31659318

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-149292 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cannabinoid receptor 1; Starch synthase catalytic domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 492 amino acids
Theoretical weight: 55.55 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P21554 (Residues: 94-301, 334-413; Coverage: 61%)
  • Canonical: Q9V2J8 (Residues: 218-413; Coverage: 45%)
Gene names: CNR, CNR1, PAB2292
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand 9GF 1 x 9GF
Ligand 9GL 1 x 9GL
Ligand OLA 4 x OLA
Ligand OLC 2 x OLC
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P21
Unit cell:
a: 41.342Å b: 167.94Å c: 41.526Å
α: 90° β: 91.39° γ: 90°
R-values:
R R work R free
0.238 0.229 0.312
Expression system: Spodoptera frugiperda

Quick links

Citations

19 review citations

Targeting Cannabinoid Receptors: Current Status and Prospects of Natural Products.
An et al. (2020)
18 more

31 mentions without citation

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