The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 GP41 trimeric core

Structure

x-ray diffraction · 2 distinct chains · 92% helix, 0% strand (DSSP).

Ligands and binding sites

• 3PA · 3-cyclopentyl-propionic acid · ligand · chains A
• GGL · Gamma-L-glutamic acid · ligand · chains C
• 4BA · 4-[(2-carboxy-ethylamino)-methyl]-benzoic acid · ligand · chains A, C

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

Interfaces

1 interface between chains.

• A–C · 535 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

• 1FAV · The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 GP41… · the same entry in another collection · chain A against A, TM-score 1.00
• P03069 · AlphaFold monomer V2.0 prediction for general control transcription factor GCN4 (P03069) · a predicted model of the same protein · chain A against A, TM-score 0.63

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P03069
• Every structure of UniProt P03377
• Elsewhere: RCSB PDB 1FAV · PDBe 1FAV · UniProt P03069 · UniProt P03377