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Structure paper

TitleUltra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.
Journal, issue, pagesJ. Mol. Biol., Vol. 363, Page 161-173, Year 2006
Publish dateJul 20, 2006 (structure data deposition date)
AuthorsKovalevsky, A.Y. / Liu, F. / Leshchenko, S. / Ghosh, A.K. / Louis, J.M. / Harrison, R.W. / Weber, I.T.
External linksJ. Mol. Biol. / PubMed:16962136
MethodsX-ray diffraction
Resolution0.84 - 1.22 Å
Structure data

PDB-2hs1:
Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor
Method: X-RAY DIFFRACTION / Resolution: 0.84 Å

PDB-2hs2:
Crystal structure of M46L mutant of HIV-1 protease complexed with TMC114 (darunavir)
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-017:
(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE / medication, antiretroviral*YM

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE / ultra-high resolution active site surface binding site / aspartic protease active site surface binding site

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