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PIE12 D-peptide against HIV entry

Analyse PIE12 D-peptide against HIV entry in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3L37
Type
protein
Length
61 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GP41 N-peptide; HIV entry inhibitor PIE12
Ligands
ACE, NH2

Structure

x-ray diffraction · 2 distinct chains · 87% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGP41 N-peptideprotein4596% helix, 0% strand—
HHIV entry inhibitor PIE12protein1663% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · 2 copies · chains A, H
  • NH2 · Amino group · ion · 2 copies · chains A, H

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

Interfaces

1 interface between chains.

  • A–H · 389 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 3L37 · PIE12 D-peptide against HIV entry · the same entry in another collection · chain A against A, TM-score 1.00

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