› 5cn0

X-ray diffraction
1.9Å resolution

Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR

Released:
DOI: 10.2210/pdb5cn0/pdb
PDB entry 5cn0 coloured by chain, front view.
PDB entry 5cn0 coloured by chain, side view.
PDB entry 5cn0 coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Primary publication:
Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Zhu X, Zhu Y, Ye S, Wang Q, Xu W, Su S, Sun Z, Yu F, Liu Q, Wang C, Zhang T, Zhang Z, Zhang X, Xu J, Du L, Liu K, Lu L, Zhang R, Jiang S
Sci Rep 5 13028 (2015)
PMID: 26286358

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137976 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Transmembrane protein gp41 Chain: A
Molecule details ›
Chain: A
Length: 73 amino acids
Theoretical weight: 8.5 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: P04578 (Residues: 546-582; Coverage: 5%)
Gene name: env
Structure domains: Helix Hairpins

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: R32
Unit cell:
a: 36.187Å b: 36.187Å c: 286.003Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.2 0.196 0.232
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Peptide and peptide-based inhibitors of SARS-CoV-2 entry.
Schütz et al. (2020)
7 more

1 mention without citation

Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Zhu et al. (2015)