› 4mbs

X-ray diffraction
2.71Å resolution

Crystal Structure of the CCR5 Chemokine Receptor

Released:
DOI: 10.2210/pdb4mbs/pdb
PDB entry 4mbs coloured by chain, front view.
PDB entry 4mbs coloured by chain, side view.
PDB entry 4mbs coloured by chain, top view.
Source organisms:
Primary publication:
Structure of the CCR5 chemokine receptor-HIV entry inhibitor maraviroc complex.
Tan Q, Zhu Y, Li J, Chen Z, Han GW, Kufareva I, Li T, Ma L, Fenalti G, Li J, Zhang W, Xie X, Yang H, Jiang H, Cherezov V, Liu H, Stevens RC, Zhao Q, Wu B
Science 341 1387-90 (2013)
PMID: 24030490

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-132356 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
C-C chemokine receptor type 5; Rubredoxin Chains: A, B
Molecule details ›
Chains: A, B
Length: 414 amino acids
Theoretical weight: 47.52 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P51681 (Residues: 2-223, 227-352; Coverage: 99%)
  • Canonical: P00268 (Residues: 1-54; Coverage: 100%)
Gene names: CCR5, CMKBR5
Sequence domains:
Structure domains: Rhodopsin 7-helix transmembrane proteins

Ligands and Environments

3 bound ligands:
Ligand MRV 2 x MRV
Ligand ZN 2 x ZN
Ligand OLC 10 x OLC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 72.92Å b: 103.52Å c: 137.47Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.216 0.263
Expression system: Spodoptera frugiperda

Quick links

Citations

83 review citations

International Union of Basic and Clinical Pharmacology. [corrected]. LXXXIX. Update on the extended family of chemokine receptors and introducing a new nomenclature for atypical chemokine receptors.
Bachelerie et al. (2014)
82 more

145 mentions without citation

Approved Antiviral Drugs over the Past 50 Years.
De Clercq et al. (2016)
144 more