› 5lwe

X-ray diffraction
2.8Å resolution

Crystal structure of the human CC chemokine receptor type 9 (CCR9) in complex with vercirnon

Released:
DOI: 10.2210/pdb5lwe/pdb
PDB entry 5lwe coloured by chain, front view.
PDB entry 5lwe coloured by chain, side view.
PDB entry 5lwe coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Intracellular allosteric antagonism of the CCR9 receptor.
Oswald C, Rappas M, Kean J, Doré AS, Errey JC, Bennett K, Deflorian F, Christopher JA, Jazayeri A, Mason JS, Congreve M, Cooke RM, Marshall FH
Nature 540 462-465 (2016)
PMID: 27926729

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-156402 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
C-C chemokine receptor type 9 Chains: A, B
Molecule details ›
Chains: A, B
Length: 331 amino acids
Theoretical weight: 37.88 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P51686 (Residues: 23-341; Coverage: 86%)
Gene names: CCR9, GPR28
Sequence domains: 7 transmembrane receptor (rhodopsin family)
Structure domains: Rhodopsin 7-helix transmembrane proteins

Ligands and Environments

4 bound ligands:
Ligand 79K 2 x 79K
Ligand OLA 28 x OLA
Ligand CLR 1 x CLR
Ligand MLI 2 x MLI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P1
Unit cell:
a: 62.571Å b: 66.197Å c: 68.424Å
α: 74.02° β: 64.72° γ: 62.29°
R-values:
R R work R free
0.217 0.215 0.243
Expression system: Spodoptera frugiperda

Quick links

Citations

22 review citations

A guide to chemokines and their receptors.
Hughes et al. (2018)
21 more

49 mentions without citation

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