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Reaction Details
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Cell Reactant:HIV-1 Protease Mutant, MDR-HM
Syringe Reactant:BDBM581
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:05/10/04
 
ΔG°:-6.90± (kcal/mole)
pH:5±n/a
Log10Kb:5.08± 4
Temperature:298.15±n/a (K)
ΔH° :17.5±0.200 (kcal/mole)
ΔHobs :17.5±0.200 (kcal/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:not known
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :0.0800± (kcal/mole-K)
Comments:n/a
 
Citation Ohtaka, HSchön, AFreire, E Multidrug resistance to HIV-1 protease inhibition requires cooperative coupling between distal mutations. Biochemistry42:13659-66 (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, MDR-HM
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, MDR-HM
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, MDR-HM chain A
Synonyms:HIV-1 Protease Mutant, MDR-HM chain B | Multiple-drug-resistant hexamutant (L10I/M46I/I54V/V82A/I84V/L90M)
Type:Enzyme Subunit
Mol. Mass.:10740.13
Organism:Human immunodeficiency virus type 1
Description:Mutations at selected positions (L10I/M46I/I54V/V82A/I84V/L90M) were introduced into HIV-1 protease pseudo wild type (Q7K/L33I/L63I)
Residue:99
Sequence:
PQITLWKRPIVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKIIGGIGGFVKVRQYD
QIIIEICGHKAIGTVLVGPTPANVIGRNLMTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:HIV-1 Protease Mutant, MDR-HM chain A
Synonyms:HIV-1 Protease Mutant, MDR-HM chain B | Multiple-drug-resistant hexamutant (L10I/M46I/I54V/V82A/I84V/L90M)
Type:Enzyme Subunit
Mol. Mass.:10740.13
Organism:Human immunodeficiency virus type 1
Description:Mutations at selected positions (L10I/M46I/I54V/V82A/I84V/L90M) were introduced into HIV-1 protease pseudo wild type (Q7K/L33I/L63I)
Residue:99
Sequence:
PQITLWKRPIVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKIIGGIGGFVKVRQYD
QIIIEICGHKAIGTVLVGPTPANVIGRNLMTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM581
Source:Bachem AG
Purity:n/a
Prep. Method:Compound was prepared as a 7.8 mM stock solution in 9 mM NaOH.
NameBDBM581
Synonyms:4-{2-[(3R)-4-[2-(2-acetamido-3-methylbutanamido)-3-methylbutanamido]-3-hydroxy-6-methylheptanamido]propanamido}-3-hydroxy-6-methylheptanoic acid | Acetyl Pepstatin
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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