X-ray diffraction
3.2Å resolution

Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in I222 spacegroup


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:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
C-X-C chemokine receptor type 4; Endolysin Chain: A
Molecule details ›
Chain: A
Length: 508 amino acids
Theoretical weight: 57.54 KDa
Source organisms: Expression system: Spodoptera frugiperda
  • Canonical: P61073 (Residues: 2-229, 230-325; Coverage: 92%)
  • Canonical: P00720 (Residues: 2-161; Coverage: 98%)
Gene names: CXCR4, E
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: I222
Unit cell:
a: 71.121Å b: 78.711Å c: 240.592Å
α: 90° β: 90° γ: 90°
R R work R free
0.236 0.232 0.306
Expression system: Spodoptera frugiperda