› 3l35

X-ray diffraction
1.55Å resolution

PIE12 D-peptide against HIV entry

Released:
DOI: 10.2210/pdb3l35/pdb
PDB entry 3l35 coloured by chain, front view.
PDB entry 3l35 coloured by chain, side view.
PDB entry 3l35 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-163721 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
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 PIE12 Chains: H, K, L
Molecule details ›
Chains: H, K, L
Length: 18 amino acids
Theoretical weight: 2.03 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
10 modified residues:
Ligand DLY 3 x DLY
Ligand DHI 3 x DHI
Ligand DPR 6 x DPR
Ligand DCY 6 x DCY
Ligand DAS 3 x DAS
Ligand DTY 3 x DTY
Ligand DGL 6 x DGL
Ligand DTR 6 x DTR
Ligand DGN 3 x DGN
Ligand DLE 6 x DLE

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 30.85Å b: 40.487Å c: 80.306Å
α: 90° β: 91.76° γ: 90°
R-values:
R R work R free
0.235 0.233 0.288
Expression system: Not provided

Quick links

Citations

28 review citations

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

4 mentions without citation

Protease-resistant peptide design-empowering nature's fragile warriors against HIV.
Weinstock et al. (2012)
3 more