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Cell Reactant:BDBM520
Syringe Reactant:HIV-1 Protease Mutant (V82F/I84V)
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:04/20/04
 
ΔG°:-41.8± (kJ/mole)
pH:5±n/a
Log10Kb:n/a
Temperature:298.15±n/a (K)
ΔH° :2.09±0.418 (kJ/mole)
ΔHobs :-2.05± (kJ/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:not known
Protons Released:0.1
ΔCp :-1.8392±0.1672 (kJ/mole)
Stoich. Param.:n/a
ΔS° : 0.1473± (kJ/mole-K)
Comments:Because of its low solubility, the binding of ritonavir was measured by titrating from 200 uM protease solution into 20 uM ritonavir in the calorimetric cell.
 
Citation Todd, MJLuque, IVelázquez-Campoy, AFreire, E Thermodynamic basis of resistance to HIV-1 protease inhibition: calorimetric analysis of the V82F/I84V active site resistant mutant. Biochemistry39:11876-83 (2000) [PubMed]
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Data Fit Method ,  Instrument Info
 
BDBM520
Source:Purified from commercial capsules
Purity:n/a
Prep. Method:Further purified by HPLC using a semipreparative C-18 reversed-phase column developed with 0-100% acetonitrile in 0.05% TFA.
NameBDBM520
Synonyms:1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate | ABT-538 | CHEMBL163 | Norvir | RTV | Ritonavir
TypeSmall organic molecule
Emp. Form.n/a
Mol. Mass.n/a
SMILESn/a
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
HIV-1 Protease Mutant (V82F/I84V)
Source:mutations at position 82 and 84 were introduced using an in vitro site-directed mutagenesis kit, mutant protease was expressed in BL21/DE3
Purity:99%
Prep. Method:HIV-1 protease was purified and refolded from E. coli inclusion bodies.
Name:HIV-1 Protease Mutant (V82F/I84V)
Synonyms:n/a
Type:Protein Complex
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:HIV-1 Protease Mutant (V82F/I84V) chain A
Synonyms:HIV-1 Protease Mutant (V82F/I84V) chain B
Type:Enzyme Subunit
Mol. Mass.:10816.23
Organism:Human immunodeficiency virus type 1
Description:Using plasmid-encoded mutant protease (Q7K/L33I/L63I designed to remove three hypersensitive autolytic sites) for the stability of protease.
Residue:99
Sequence:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEICGHKAIGTVLVGPTPFNVIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:HIV-1 Protease Mutant (V82F/I84V) chain A
Synonyms:HIV-1 Protease Mutant (V82F/I84V) chain B
Type:Enzyme Subunit
Mol. Mass.:10816.23
Organism:Human immunodeficiency virus type 1
Description:Using plasmid-encoded mutant protease (Q7K/L33I/L63I designed to remove three hypersensitive autolytic sites) for the stability of protease.
Residue:99
Sequence:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEICGHKAIGTVLVGPTPFNVIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:

   
    

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