1FAV: The Structure Of An Hiv-1 Specific Cell Entry Inhibitor In Complex With The Hiv-1 Gp41 Trimeric Core

The three-dimensional structure of the complex between an HIV-1 cell-entry inhibitor selected from screening a combinatorial library of non-natural building blocks and the central, trimeric, coiled-coil core of HIV-1 gp41 has been determined by X-ray crystallography. The biased combinatorial library was designed to identify ligands binding in nonpolar pockets on the surface of the coiled-coil core of gp41. The crystal structure shows that the non-peptide moiety of the inhibitor binds to the targeted cavity in two different binding modes. This result suggests a strategy for increasing inhibitor potency by use of a second-generation combinatorial library designed to give simultaneous occupancy of both binding sites.
PDB ID: 1FAVDownload
MMDB ID: 73592
PDB Deposition Date: 2000/7/13
Updated in MMDB: 2012/11
Experimental Method:
x-ray diffraction
Resolution: 3  Å
Similar Structures:
Biological Unit for 1FAV: hexameric; determined by author and by software (PISA,PQS)
Molecular Components in 1FAV
Label Count Molecule
Proteins (6 molecules)
Hiv-1 Envelope Protein Chimera(Gene symbol: GCN4)
Molecule annotation
Protein (Transmembrane Glycoprotein)
Molecule annotation
* Click molecule labels to explore molecular sequence information.

Citing MMDB