Cell Reactant:
BDBM520
Syringe Reactant:
HIV-1 Protease Mutant (V82F/I84V)
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
04/20/04
ΔG°:
-41.8±n/a (kJ/mole)
pH:
5±n/a
Temperature:
298.15±n/a (K)
ΔH° :
2.09±0.418 (kJ/mole)
ΔHobs :
-2.0482±n/a (kJ/mole)
Corrected for ΔHioniz:
not known
Protons Released:
0.1
ΔCp :
-1.8392±0.1672 (kJ/mole)
ΔS° :
0.1473±n/a (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. Biochemistry 39:11876-83 (2000) [PubMed]  Article
Cell 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:
BDBM520
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
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure:
Search PDB for entries with ligand similarity:
Syringe React
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:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEICGHKAIGTVLVGPTPFNVIGRNLLTQIGCTLNF
  
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:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEICGHKAIGTVLVGPTPFNVIGRNLLTQIGCTLNF