Crystal structure analysis of HIV-1 protease with a inhibitor saquinavir     DOI:10.2210/pdb2nmw/pdb

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Primary Citation       Molecular Description Hide Classification: Hydrolase Structure Weight: 22436.62   Molecule: Protease Polymer: 1 Type: polypeptide(L) Length: 99 Chains: A, B EC#: 3.4.23.16    Mutation: Q506K,L532I,L562I,C566A,C594A       Source Hide Polymer: 1 Scientific Name: Human immunodeficiency virus 1 Expression System: Escherichia coli bl21(de3)         Related PDB Entries Hide Id Details 2NMY    2NMZ    2NNK    2NNP          Ligand Chemical Component Hide Identifier Name Formula Interaction View Links FMT     FORMIC ACID C H2 O2 Ligand Explorer ROC     N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)-3- (tert -butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~-(quinolin- 2-ylcarbonyl)-L-aspartamide C38 H50 N6 O5 Ligand Explorer SO4     SULFATE ION O4 S 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.,   Kovalevsky, A.Y.,   Boross, P.,   Wang, Y.F.,   Ghosh, A.K.,   Tozser, J.,   Harrison, R.W.,   Weber, I.T. Deposition:   2006-10-23 Release:   2007-03-13 Last Modified (REVDAT):   2009-02-24       Experimental Details Hide Method:   X-RAY DIFFRACTION Experimental Data:    [ EDS ] Resolution[Å]: 1.16 R-Value: 0.135 (obs.) R-Free: 0.176 Space Group: P 21 21 21 Unit Cell:   Length [Å] Angles [°] a = 52.10 α = 90.00  b = 59.78 β = 90.00  c = 62.49 γ = 90.00        Structure Links Hide Molecule of the Month Features: HIV-1 Protease