› 4rws

X-ray diffraction
3.1Å resolution

Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community Target)

Released:
DOI: 10.2210/pdb4rws/pdb
PDB entry 4rws coloured by chain, front view.
PDB entry 4rws coloured by chain, side view.
PDB entry 4rws coloured by chain, top view.
Source organisms:
Primary publication:
Structural biology. Crystal structure of the chemokine receptor CXCR4 in complex with a viral chemokine.
Qin L, Kufareva I, Holden LG, Wang C, Zheng Y, Zhao C, Fenalti G, Wu H, Han GW, Cherezov V, Abagyan R, Stevens RC, Handel TM
Science 347 1117-22 (2015)
PMID: 25612609

Function and Biology Details

Reaction catalysed: 
Hydrolysis of (1->4)-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in a peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrins
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132997 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
C-X-C chemokine receptor type 4; Endolysin Chain: A
Molecule details ›
Chain: A
Length: 498 amino acids
Theoretical weight: 56.6 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P61073 (Residues: 2-228, 231-319; Coverage: 90%)
  • Canonical: P00720 (Residues: 2-161; Coverage: 98%)
Gene names: CXCR4, E
Sequence domains:
Viral macrophage inflammatory protein 2 Chain: C
Molecule details ›
Chain: C
Length: 80 amino acids
Theoretical weight: 9.14 KDa
Source organism: Human herpesvirus 8 strain GK18
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q98157 (Residues: 24-94; Coverage: 96%)
Gene name: ORF K4
Sequence domains: Small cytokines (intecrine/chemokine), interleukin-8 like
Structure domains: OB fold (Dihydrolipoamide Acetyltransferase, E2P)

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B, APS BEAMLINE 23-ID-D
Spacegroup: I222
Unit cell:
a: 82.32Å b: 121.827Å c: 189.766Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.25 0.249 0.274
Expression system: Spodoptera frugiperda

Quick links

Citations

54 review citations

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

78 mentions without citation

Mechanisms of Regulation of the Chemokine-Receptor Network.
Stone et al. (2017)
77 more