› 3oe0

X-ray diffraction
2.9Å resolution

Crystal structure of the CXCR4 chemokine receptor in complex with a cyclic peptide antagonist CVX15

Released:
DOI: 10.2210/pdb3oe0/pdb
PDB entry 3oe0 coloured by chain, front view.
PDB entry 3oe0 coloured by chain, side view.
PDB entry 3oe0 coloured by chain, top view.
Source organisms:
Primary publication:
Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists.
Wu B, Chien EY, Mol CD, Fenalti G, Liu W, Katritch V, Abagyan R, Brooun A, Wells P, Bi FC, Hamel DJ, Kuhn P, Handel TM, Cherezov V, Stevens RC
Science 330 1066-71 (2010)
PMID: 20929726

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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132999 (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: 499 amino acids
Theoretical weight: 56.69 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
Polyphemusin analog, CXC chemokine receptor antagonist Chain: I
Molecule details ›
Chain: I
Length: 16 amino acids
Theoretical weight: 2.14 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
3 modified residues:
Ligand ALN 1 x ALN
Ligand DPR 2 x DPR
Ligand CIR 1 x CIR

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: C2
Unit cell:
a: 82.08Å b: 144.86Å c: 73.99Å
α: 90° β: 104.54° γ: 90°
R-values:
R R work R free
0.217 0.215 0.267
Expression systems:
  • Spodoptera frugiperda
  • Not provided

Quick links

Citations

258 review citations

Molecular signatures of G-protein-coupled receptors.
Venkatakrishnan et al. (2013)
257 more

104 mentions without citation

Structure-function of the G protein-coupled receptor superfamily.
Katritch et al. (2013)
103 more