Crystal structure analysis of HIV-1 protease mutant V82A with a potent non-peptide inhibitor (UIC-94017)     DOI:10.2210/pdb2idw/pdb

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Primary Citation       Molecular Description Hide Classification: Hydrolase Structure Weight: 22918.94   Molecule: Protease Polymer: 1 Type: polypeptide(L) Length: 99 Chains: A, B EC#: 3.4.23.16    Fragment: residues 500-598 Mutation: Q7K, L33I, L63I, C67A, V82A, C95A, Q107K, L133I, L163I, C167A, V182A, C195A       Source Hide Polymer: 1 Scientific Name: Human immunodeficiency virus 1 Expression System: Escherichia coli bl21(de3)         Related PDB Entries Hide Id Details 2IEN    2IEO          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 ACY     ACETIC ACID C2 H4 O2 Ligand Explorer CL     CHLORIDE ION Cl Ligand Explorer DMS     DIMETHYL SULFOXIDE C2 H6 O S Ligand Explorer GOL     GLYCEROL C3 H8 O3 Ligand Explorer PO4     PHOSPHATE ION O4 P Ligand Explorer       Derived Data Hide SCOP Classification v1.75 - (2 Domains) 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 and generated by PISA (software)         Deposition Summary Hide Authors:   Tie, Y.,   Boross, P.I.,   Wang, Y.F.,   Gaddis, L.,   Manna, D.,   Hussain, A.K.,   Leshchenko, S.,   Ghosh, A.K.,   Louis, J.M.,   Harrison, R.W.,   Weber, I.T. Deposition:   2006-09-15 Release:   2006-10-03 Last Modified (REVDAT):   2009-02-24 Previous versions: 1S65       Experimental Details Hide Method:   X-RAY DIFFRACTION Experimental Data:    [ EDS ] Resolution[Å]: 1.10 R-Value: 0.117 (obs.) R-Free: 0.145 Space Group: P 21 21 21 Unit Cell:   Length [Å] Angles [°] a = 50.79 α = 90.00  b = 57.87 β = 90.00  c = 61.94 γ = 90.00        Structure Links Hide Molecule of the Month Features: HIV-1 Protease