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Crystal structure of the D10-P1/IQN17 complex: a D-peptide inhibitor of HIV-1 entry bound to the GP41 coiled-coil pocket.

Analyse Crystal structure of the D10-P1/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
1CZQ
Type
protein
Length
61 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fusion protein between the hydrophobic pocket of HIV GP41 and GCN4-piqi; D-peptide…
Ligands
ACE, CL

Structure

x-ray diffraction · 2 distinct chains · 90% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFusion protein between the hydrophobic pocket of HIV GP41 and GCN4-piqiprotein4596% helix, 0% strand—
DD-peptide inhibitorprotein1675% 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 · 286 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 d-amino, 2 covalent, 1 disulfide (D-amino acid, covalent ligand, disulfide).

Compared structures

  • 1CZQ · Crystal structure of the D10-P1/IQN17 complex: a D-peptide inhibitor of HIV-1 entry bound… · the same entry in another collection · chain A against A, TM-score 1.00

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