› 2r5d

X-ray diffraction
1.66Å resolution

Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7

Released:
DOI: 10.2210/pdb2r5d/pdb
PDB entry 2r5d coloured by chain, front view.
PDB entry 2r5d coloured by chain, side view.
PDB entry 2r5d coloured by chain, top view.
Source organism: synthetic construct
Primary publication:
Potent D-peptide inhibitors of HIV-1 entry.
Welch BD, VanDemark AP, Heroux A, Hill CP, Kay MS
Proc Natl Acad Sci U S A 104 16828-33 (2007)
PMID: 17942675

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-163215 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
gp41 N-peptide Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 47 amino acids
Theoretical weight: 5.47 KDa
Source organism: synthetic construct
Expression system: Not provided
Structure domains: Single alpha-helices involved in coiled-coils or other helix-helix interfaces
HIV entry inhibitor PIE7 Chains: H, K, L
Molecule details ›
Chains: H, K, L
Length: 17 amino acids
Theoretical weight: 1.77 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand GOL 1 x GOL
Ligand SO4 1 x SO4
Ligand EPE 1 x EPE
10 modified residues:
Ligand DLY 3 x DLY
Ligand DAL 9 x DAL
Ligand DCY 6 x DCY
Ligand DAS 3 x DAS
Ligand DTY 3 x DTY
Ligand DPR 3 x DPR
Ligand DGL 3 x DGL
Ligand DTR 6 x DTR
Ligand DGN 3 x DGN
Ligand DLE 3 x DLE

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 35.438Å b: 56.345Å c: 53.424Å
α: 90° β: 96.9° γ: 90°
R-values:
R R work R free
0.204 0.201 0.249
Expression system: Not provided

Quick links

Citations

41 review citations

Structures and mechanisms of viral membrane fusion proteins: multiple variations on a common theme.
White et al. (2008)
40 more

10 mentions without citation

Amphipathic properties of HIV-1 gp41 fusion inhibitors.
Gochin et al. (2011)
9 more