Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor     DOI:10.2210/pdb2hs1/pdb

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Primary Citation       Molecular Description Hide Classification: Hydrolase Structure Weight: 22789.42   Molecule: HIV-1 Protease Polymer: 1 Type: polypeptide(L) Length: 99 Chains: A, B EC#: 3.4.23.16    Fragment: HIV-1 protease (residues 500-598) Mutation: Q7K, V32I, L33I, L63I, C67A, C95A       Source Hide Polymer: 1 Scientific Name: Human immunodeficiency virus 1 Expression System: Escherichia coli         Ligand Chemical Component Hide Identifier Name Formula Interaction View Links 017     (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3- YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL] (ISOBUTYL)AMINO]- 1-BENZYL-2-HYDROXYPROPYLCARBAMATE C27 H37 N3 O7 S Ligand Explorer CL     CHLORIDE ION Cl Ligand Explorer DMS     DIMETHYL SULFOXIDE C2 H6 O S Ligand Explorer       Derived Data Hide CATH Classification v3.2.0 - (2 Domains) PFAM Classification - (2 Domains) GO Terms - (34 Terms)     Reset Layout

Biological Assembly     More Images... View in Jmol Other Viewers close KiNG WebMol QuickPDB FirstGlance Kiosk SimpleViewer Protein Workshop Ligand Explorer Biological assembly assigned by authors         Deposition Summary Hide Authors:   Weber, I.T.,   Kovalevsky, A.Y. Deposition:   2006-07-20 Release:   2006-10-03 Last Modified (REVDAT):   2009-02-24       Experimental Details Hide Method:   X-RAY DIFFRACTION Experimental Data:    [ EDS ] Resolution[Å]: 0.84 R-Value: 0.124 (obs.) R-Free: 0.149 Space Group: P 21 21 21 Unit Cell:   Length [Å] Angles [°] a = 28.70 α = 90.00  b = 65.92 β = 90.00  c = 92.53 γ = 90.00        Structure Links Hide Molecule of the Month Features: HIV-1 Protease