3oe0

X-ray diffraction
2.9Å resolution

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

Released:

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:
Cellular component:

Structure analysis Details

Assembly composition:
hetero tetramer (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 organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00720 (Residues: 2-161; Coverage: 98%)
  • Canonical: P61073 (Residues: 2-228, 231-319; Coverage: 90%)
Gene names: CXCR4, E
Sequence domains:
Structure domains:
Polyphemusin analog, CXC chemokine receptor antagonist Chain: I
Molecule details ›
Chain: I
Length: 16 amino acids
Theoretical weight: 2.14 KDa

Ligands and Environments

No bound ligands

3 modified residues:

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 system: Spodoptera frugiperda