1hvs

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[[Image:1hvs.gif|left|200px]]
[[Image:1hvs.gif|left|200px]]
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{{Structure
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|PDB= 1hvs |SIZE=350|CAPTION= <scene name='initialview01'>1hvs</scene>, resolution 2.25&Aring;
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The line below this paragraph, containing "STRUCTURE_1hvs", creates the "Structure Box" on the page.
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|SITE=
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|LIGAND= <scene name='pdbligand=A77:N-{1-BENZYL-(2R,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE'>A77</scene>
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{{STRUCTURE_1hvs| PDB=1hvs | SCENE= }}
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1hvs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hvs OCA], [http://www.ebi.ac.uk/pdbsum/1hvs PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1hvs RCSB]</span>
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'''STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING'''
'''STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING'''
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[[Category: Liu, B.]]
[[Category: Liu, B.]]
[[Category: Pattabiraman, N.]]
[[Category: Pattabiraman, N.]]
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[[Category: hydrolase (acid protease)]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 19:16:51 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:11:06 2008''
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Revision as of 16:16, 2 May 2008

Image:1hvs.gif

Template:STRUCTURE 1hvs

STRUCTURAL BASIS OF DRUG RESISTANCE FOR THE V82A MUTANT OF HIV-1 PROTEASE: BACKBONE FLEXIBILITY AND SUBSITE REPACKING


Overview

A major problem in the development of antiviral therapies for AIDS has been the emergence of drug resistance. We report an analysis of the structure of a Val 82 to Ala mutant of HIV-1 proteinase complexed to A-77003, a C2 symmetry-based inhibitor. Modelling studies predicted that the V82A mutation would result in decreased van der Waals' interactions with the phenyl rings of A-77003 in both S1 and S1' subsites. Unexpected rearrangements of the protein backbone, however, resulted in favourable re-packing of inhibitor and enzyme atoms in the S1 but not the S1' subsite. This analysis reveals the importance of enzyme flexibility in accommodating alternate packing arrangements, and can be applied to the re-design of inhibitors targeted to drug resistant variants which emerge in the clinic.

About this Structure

1HVS is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.

Reference

Structural basis of drug resistance for the V82A mutant of HIV-1 proteinase., Baldwin ET, Bhat TN, Liu B, Pattabiraman N, Erickson JW, Nat Struct Biol. 1995 Mar;2(3):244-9. PMID:7773792 Page seeded by OCA on Fri May 2 19:16:51 2008

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