› 5uiw

X-ray diffraction
2.2Å resolution

Crystal Structure of CC Chemokine Receptor 5 (CCR5) in complex with high potency HIV entry inhibitor 5P7-CCL5

Released:
DOI: 10.2210/pdb5uiw/pdb
PDB entry 5uiw coloured by chain, front view.
PDB entry 5uiw coloured by chain, side view.
PDB entry 5uiw coloured by chain, top view.
Source organisms:
Primary publication:
Structure of CC Chemokine Receptor 5 with a Potent Chemokine Antagonist Reveals Mechanisms of Chemokine Recognition and Molecular Mimicry by HIV.
Zheng Y, Han GW, Abagyan R, Wu B, Stevens RC, Cherezov V, Kufareva I, Handel TM
Immunity 46 1005-1017.e5 (2017)
PMID: 28636951

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132357 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
C-C chemokine receptor type 5; Rubredoxin Chain: A
Molecule details ›
Chain: A
Length: 411 amino acids
Theoretical weight: 47.16 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P51681 (Residues: 2-223, 227-352; Coverage: 98%)
  • Canonical: P00268 (Residues: 1-54; Coverage: 100%)
Gene names: CCR5, CMKBR5
Sequence domains:
RANTES(4-68) Chain: B
Molecule details ›
Chain: B
Length: 75 amino acids
Theoretical weight: 8.66 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P13501 (Residues: 33-91; Coverage: 87%)
Gene names: CCL5, D17S136E, SCYA5
Sequence domains: Small cytokines (intecrine/chemokine), interleukin-8 like
Structure domains: OB fold (Dihydrolipoamide Acetyltransferase, E2P)

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand OLC 6 x OLC
Ligand OLA 2 x OLA
1 modified residue:
Ligand PCA 1 x PCA

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Unit cell:
a: 38.01Å b: 52.64Å c: 302.67Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.216 0.25
Expression system: Spodoptera frugiperda

Quick links

Citations

18 review citations

Structural insights into G-protein-coupled receptor allostery.
Thal et al. (2018)
17 more

47 mentions without citation

Molecular Mechanism of HIV-1 Entry.
Chen B. (2019)
46 more