1FAV

THE STRUCTURE OF AN HIV-1 SPECIFIC CELL ENTRY INHIBITOR IN COMPLEX WITH THE HIV-1 GP41 TRIMERIC CORE

Summary for 1FAV

• Entry DOI: 10.2210/pdb1fav/pdb
• Descriptor: HIV-1 ENVELOPE PROTEIN CHIMERA, PROTEIN (TRANSMEMBRANE GLYCOPROTEIN) (2 entities in total)
• Functional Keywords: hiv-1, gp41, inhibitor, viral protein
• Biological source: Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast); More
• Cellular location: Transmembrane protein gp41: Virion membrane; Single-pass type I membrane protein. Surface protein gp120: Virion membrane; Peripheral membrane protein: P03377 P03377
• Total number of polymer chains: 2
• Total formula weight: 13318.12

Authors

Zhou, G.,Ferrer, M.,Chopra, R.,Strassmaier, T.,Weissenhorn, W.,Skehel, J.J.,Oprian, D.,Schreiber, S.L.,Harrison, S.C.,Wiley, D.C. (deposition date: 2000-07-13, release date: 2000-08-23, Last modification date: 2024-11-13)

Primary citation

Zhou, G.,Ferrer, M.,Chopra, R.,Kapoor, T.M.,Strassmaier, T.,Weissenhorn, W.,Skehel, J.J.,Oprian, D.,Schreiber, S.L.,Harrison, S.C.,Wiley, D.C.
The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core.
Bioorg.Med.Chem., 8:2219-2227, 2000

PubMed Abstract: 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.

PubMed: 11026535
DOI: 10.1016/S0968-0896(00)00155-3

Experimental method

X-RAY DIFFRACTION (3 Å)