› 3l36

X-ray diffraction
1.45Å resolution

PIE12 D-peptide against HIV entry

Released:
DOI: 10.2210/pdb3l36/pdb
PDB entry 3l36 coloured by chain, front view.
PDB entry 3l36 coloured by chain, side view.
PDB entry 3l36 coloured by chain, top view.
Source organism: Synthetic construct
Primary publication:
Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
Welch BD, Francis JN, Redman JS, Paul S, Weinstock MT, Reeves JD, Lie YS, Whitby FG, Eckert DM, Hill CP, Root MJ, Kay MS
J Virol 84 11235-44 (2010)
PMID: 20719956

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-163722 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
GP41 N-PEPTIDE Chain: A
Molecule details ›
Chain: A
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 PIE12 Chain: H
Molecule details ›
Chain: H
Length: 17 amino acids
Theoretical weight: 1.97 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand CXS 1 x CXS
10 modified residues:
Ligand DLY 1 x DLY
Ligand DHI 1 x DHI
Ligand DPR 2 x DPR
Ligand DCY 2 x DCY
Ligand DAS 1 x DAS
Ligand DTY 1 x DTY
Ligand DGL 2 x DGL
Ligand DTR 2 x DTR
Ligand DGN 1 x DGN
Ligand DLE 2 x DLE

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P321
Unit cell:
a: 41.117Å b: 41.117Å c: 81.731Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.246 0.243 0.278
Expression system: Not provided

Quick links

Citations

29 review citations

HIV: cell binding and entry.
Wilen et al. (2012)
28 more

4 mentions without citation

Design of a potent D-peptide HIV-1 entry inhibitor with a strong barrier to resistance.
Welch et al. (2010)
3 more