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Cell Reactant:HIV-1 Protease Mutant (V82A/I84V)
Syringe Reactant:BDBM579
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:05/10/04
 
ΔG°:-48.5± (kJ/mole)
pH:5±n/a
Log10Kb:8.49± 7.30
Temperature:298.15±n/a (K)
ΔH° :-14.2±0.836 (kJ/mole)
ΔHobs :-14.2±0.836 (kJ/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:not known
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° : 0.115± (kJ/mole-K)
Comments:The binding affinities were determined by using ITC displacement experiments. Acetyl pepstatin was selected as the weak inhibitor in the displacement titration because this inhibitor is endothermic and amplifies the signal of a high affinity exothermic inhibitor when displaced.
 
Citation Ohtaka HSchön AFreire E Multidrug resistance to HIV-1 protease inhibition requires cooperative coupling between distal mutations. Biochemistry 42:13659-66 (2003) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Data Fit Method ,  Instrument Info
 
HIV-1 Protease Mutant (V82A/I84V)
Source:The genes encoding HIV-1 protease mutants and wild type were expressed in E. coli.
Purity:99%
Prep. Method:HIV-1 protease was purified and refolded from E. coli inclusion bodies.
Name:HIV-1 Protease Mutant (V82A/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 (V82A/I84V) chain A
Synonyms:HIV-1 Protease Mutant (Q7K/L33I/L63I/V82A/I84V) | HIV-1 Protease Mutant (V82A/I84V) chain B
Type:Enzyme Subunit
Mol. Mass.:10754.16
Organism:Human immunodeficiency virus type 1
Description:Mutations at selected positions (V82A/I84V) were introduced into HIV-1 protease pseudo wild type (Q7K/L33I/L63I)
Residue:99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEICGHKAIGTVLVGPTPANVIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:HIV-1 Protease Mutant (V82A/I84V) chain A
Synonyms:HIV-1 Protease Mutant (Q7K/L33I/L63I/V82A/I84V) | HIV-1 Protease Mutant (V82A/I84V) chain B
Type:Enzyme Subunit
Mol. Mass.:10754.16
Organism:Human immunodeficiency virus type 1
Description:Mutations at selected positions (V82A/I84V) were introduced into HIV-1 protease pseudo wild type (Q7K/L33I/L63I)
Residue:99
Sequence:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYD
QIIIEICGHKAIGTVLVGPTPANVIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM579
Source:Was provided by Prof. Y. Kiso (Kyoto Pharmaceutical University, Kyoto, Japan)
Purity:n/a
Prep. Method:Compound was used without further purification.
NameBDBM579
Synonyms:(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[2-(isoquinolin-5-yloxy)acetamido]-3-(methylsulfanyl)propanamido]-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide | CHEMBL414640 | KNI-272 | Kynostatin 272 | iQoa-Mta-Apns-Thz-NH-tBu
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:

   
    

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Last update November 1, 2007
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