Cell Reactant:
HIV-1 Protease Mutant (V82A/I84V)
Syringe Reactant:
BDBM518
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
05/10/04
ΔG°:
-51.832±n/a (kJ/mole)
pH:
5±n/a
Log10Kb:
8
Temperature:
298.15±n/a (K)
ΔH° :
13.376±0.836 (kJ/mole)
ΔHobs :
13.376±0.836 (kJ/mole)
Corrected for ΔHioniz:
not known
ΔS° :
0.2188±n/a (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
Cell React
Source:
Plasmid-encoded HIV-1 protease was expressed in E. coli cells.
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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEICGHKAIGTVLVGPTPANVIGRNLLTQIGCTLNF
  
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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEICGHKAIGTVLVGPTPANVIGRNLLTQIGCTLNF
  
Syringe React
Source:
Purified from commercial capsules
Prep. Method:
Further purified by HPLC using a semipreparative C-18 reversed-phase column developed with 0-100% acetonitrile in 0.05% TFA
Name:
BDBM518
Synonyms:
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide | AG-1343 | CHEMBL584 | Nelfinavir | Viracept
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure:
Search PDB for entries with ligand similarity: