X-ray diffraction
1.8Å resolution

Crystal structure of C14linkmid/IQN17: a cross-linked inhibitor of HIV-1 entry bound to the gp41 hydrophobic pocket


Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Structure domain:

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
General control transcription factor GCN4; Transmembrane protein gp41 Chains: A, B
Molecule details ›
Chains: A, B
Length: 46 amino acids
Theoretical weight: 5.47 KDa
Source organisms: Expression system: Not provided
  • Canonical: P03069 (Residues: 249-277; Coverage: 10%)
  • Canonical: P04578 (Residues: 566-581; Coverage: 2%)
Gene names: AAS101, AAS3, ARG9, GCN4, YEL009C, env
Structure domains: Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Transmembrane protein gp41 Chains: C, D
Molecule details ›
Chains: C, D
Length: 12 amino acids
Theoretical weight: 1.67 KDa
Source organism: Human immunodeficiency virus
Expression system: Not provided
  • Canonical: P04578 (Residues: 628-639; Coverage: 2%)
Gene name: env

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P63
Unit cell:
a: 38.358Å b: 38.358Å c: 169.695Å
α: 90° β: 90° γ: 120°
R R work R free
0.208 0.208 0.243
Expression system: Not provided