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Crystal structure of the D10-P3/IQN17 complex: a D-peptide inhibitor of HIV-1 entry bound to the GP41 coiled-coil pocket

Analyse Crystal structure of the D10-P3/IQN17 complex: a D-peptide inhibitor of HIV-1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2Q3I
Type
protein
Length
61 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fusion protein between the coiled-coil pocket of HIV GP41 and GCN4-piqi; D-peptide
UniProt
A3F986
Ligands
ACE, CL

Structure

x-ray diffraction · 2 distinct chains · 89% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFusion protein between the coiled-coil pocket of HIV GP41 and GCN4-piqiprotein4596% helix, 0% strandA3F986
DD-peptideprotein1669% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · 2 copies · chains A, D
  • CL · Chloride ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Interfaces

1 interface between chains.

  • A–D · 321 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 13 d-amino, 2 covalent (D-amino acid, covalent ligand).

Compared structures

  • 2Q3I · Crystal structure of the D10-P3/IQN17 complex: a D-peptide inhibitor of HIV-1 entry bound… · the same entry in another collection · chain D against D, TM-score 1.00

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