Cell Reactant:
HIV-1 Protease B Subtype Mutant (V82F/I84V)
Syringe Reactant:
BDBM517
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
06/22/04
ΔG°:
-42.636±n/a (kJ/mole)
pH:
5±n/a
Log10Kb:
6
Temperature:
298.15±n/a (K)
ΔH° :
14.63±n/a (kJ/mole)
ΔHobs :
14.63±n/a (kJ/mole)
Corrected for ΔHioniz:
not known
ΔS° :
0.1922±n/a (kJ/mole-K)
Comments:
In displacement titration, inhibitors were injected into the calorimetric cell containing the protein prebound to a weak inhibitor acetylpepstatin.
Citation
 Velazquez-Campoy, AVega, SFreire, E Amplification of the effects of drug resistance mutations by background polymorphisms in HIV-1 protease from African subtypes. Biochemistry 41:8613-9 (2002) [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 B Subtype 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 B Subtype Mutant (V82F/I84V) chain A
Synonyms:
HIV-1 Protease B Subtype Mutant (V82F/I84V) chain B | HIV-1 Protease Mutant (Q7K/V82F/I84V)
Type:
Enzyme Subunit
Mol. Mass.:
10816.23
Organism:
Human immunodeficiency virus type 1
Description:
n/a
Residue:
99
Sequence:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPFNVIGRNLLTQIGCTLNF
  
Component 2
Name:
HIV-1 Protease B Subtype Mutant (V82F/I84V) chain A
Synonyms:
HIV-1 Protease B Subtype Mutant (V82F/I84V) chain B | HIV-1 Protease Mutant (Q7K/V82F/I84V)
Type:
Enzyme Subunit
Mol. Mass.:
10816.23
Organism:
Human immunodeficiency virus type 1
Description:
n/a
Residue:
99
Sequence:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPFNVIGRNLLTQIGCTLNF
  
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:
BDBM517
Synonyms:
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide | CHEMBL115 | Crixivan | INDINAVIR SULFATE | Indinavir | Indinavir, 19 | L-735, 524 | MK639
Type:
Small organic molecule
Emp. Form.:
C36H47N5O4
Mol. Mass.:
613.7895
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9|
Structure:
Search PDB for entries with ligand similarity: