HIV Viral Protease
 
   Unmodified   Simple View   VdW 82   Asp 25
  Mut+cyclohexane
  Drug 1   Drug 2   Drug 3   Drug 4

 
  Unmodified   Simple View   VdW 82
  Mut+cyclohexane
  Drug 1   Drug 2   Drug 3   Drug 4

Instructions:
  • Clicking on "Unmodified" loads the structure for the non-mutated or unmodified enzyme in complex with a tight binding inhibitor that contains a cyclohexane group. Clicking on Mut+cyclohexane will load the structure of the mutant enzyme and the original (cyclohexane) drug.
  • Clicking on any of the buttons labeled 'Drug' loads the structure of the mutant enzyme with one of the particular drugs.
  • Clicking on "Simple View" shows the backbone atoms, the bound substrate in thick sticks, and the sidechains of some important residues in thinner sticks.
  • Clicking on "VdW 82" will place a van der Waals surface on the side-chain atoms of residue 82.
  • Clicking on "Asp25" will display both active site aspartates (one from each chain).
  The KI values of each of these combinations is:
EnzymeDrugKI
Wild-typeCyclohexane 1 nM
MutantCyclohexane 50 nM
MutantDrug 1 1 nM
MutantDrug 2 20 nM
MutantDrug 3 200 nM
MutantDrug 4 40 nM

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