1fav
From Proteopedia
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|PDB= 1fav |SIZE=350|CAPTION= <scene name='initialview01'>1fav</scene>, resolution 3.0Å | |PDB= 1fav |SIZE=350|CAPTION= <scene name='initialview01'>1fav</scene>, resolution 3.0Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=3PA:3-CYCLOPENTYL-PROPIONIC+ACID'>3PA</scene>, <scene name='pdbligand=4BA:4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-BENZOIC+ACID'>4BA</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1fav FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fav OCA], [http://www.ebi.ac.uk/pdbsum/1fav PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1fav RCSB]</span> | ||
}} | }} | ||
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[[Category: inhibitor]] | [[Category: inhibitor]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:19:16 2008'' |
Revision as of 17:19, 30 March 2008
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| , resolution 3.0Å | |||||||
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| Ligands: | , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
THE STRUCTURE OF AN HIV-1 SPECIFIC CELL ENTRY INHIBITOR IN COMPLEX WITH THE HIV-1 GP41 TRIMERIC CORE
Overview
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.
About this Structure
1FAV is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
Reference
The structure of an HIV-1 specific cell entry inhibitor in complex with the HIV-1 gp41 trimeric core., Zhou G, Ferrer M, Chopra R, Kapoor TM, Strassmaier T, Weissenhorn W, Skehel JJ, Oprian D, Schreiber SL, Harrison SC, Wiley DC, Bioorg Med Chem. 2000 Sep;8(9):2219-27. PMID:11026535
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