Cell Reactant:
HIV-1 Protease A Subtype
Syringe Reactant:
BDBM580
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
06/22/04
ΔG°:
-61.446±n/a (kJ/mole)
pH:
5±n/a
Log10Kb:
9.4
Temperature:
298.15±n/a (K)
ΔH° :
-30.932±n/a (kJ/mole)
ΔHobs :
-30.932±n/a (kJ/mole)
Corrected for ΔHioniz:
not known
ΔS° :
0.1024±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 A Subtype
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 A Subtype chain A
Synonyms:
HIV-1 Protease A Subtype chain B | HIV-1 Protease Mutant (Q7K/I13V/E35D/M36I/S37N/R41K/R57K/H69K/L89M)
Type:
Enzyme Subunit
Mol. Mass.:
10716.69
Organism:
Human immunodeficiency virus type 1
Description:
n/a
Residue:
99
Sequence:
PQVTLWKRPLVTVKIGGQLKEALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYDQILIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
  
Component 2
Name:
HIV-1 Protease A Subtype chain A
Synonyms:
HIV-1 Protease A Subtype chain B | HIV-1 Protease Mutant (Q7K/I13V/E35D/M36I/S37N/R41K/R57K/H69K/L89M)
Type:
Enzyme Subunit
Mol. Mass.:
10716.69
Organism:
Human immunodeficiency virus type 1
Description:
n/a
Residue:
99
Sequence:
PQVTLWKRPLVTVKIGGQLKEALLDTGADDTVLEDINLPGKWKPKMIGGIGGFIKVKQYDQILIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
  
Syringe React
Source:
From Dr. Kiso, Department of Medicinal Chemistry, Kyoto Pharmaceutical University, Kyoto, Japan).
Prep. Method:
were used without further purification
Name:
BDBM580
Synonyms:
(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide | AG1776 | JE-2147 | KNI-764
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure:
Search PDB for entries with ligand similarity: