› 3mgn

X-ray diffraction
1.4Å resolution

D-Peptide inhibitor PIE71 in complex with IQN17

Released:
DOI: 10.2210/pdb3mgn/pdb
PDB entry 3mgn coloured by chain, front view.
PDB entry 3mgn coloured by chain, side view.
PDB entry 3mgn 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-163786 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
IQN17 Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
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
D-PEPTIDE INHIBITOR PIE71 Chains: G, H, I, J, K, L
Molecule details ›
Chains: G, H, I, J, K, L
Length: 17 amino acids
Theoretical weight: 1.87 KDa
Source organism: Synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
10 modified residues:
Ligand DLY 6 x DLY
Ligand DPN 6 x DPN
Ligand DVA 6 x DVA
Ligand DCY 12 x DCY
Ligand DPR 12 x DPR
Ligand DGL 6 x DGL
Ligand DTR 12 x DTR
Ligand DAR 6 x DAR
Ligand DLE 12 x DLE
Ligand DAS 6 x DAS

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: P21
Unit cell:
a: 51.92Å b: 30.791Å c: 132.802Å
α: 90° β: 91.69° γ: 90°
R-values:
R R work R free
0.262 0.261 0.288
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