Reaction Details  Report a problem with these data
Cell Reactant:
HIV-1 Protease
Syringe Reactant:
BDBM519
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
2004-04-20
ΔG°:
-11.8±n/a (kcal/mole)
pH:
5.0000±n/a
Temperature:
298.1500±n/a (K)
ΔH° :
2.2±0.2 (kJ/mole)
ΔHobs :
2.12±n/a (kJ/mole)
Corrected for ΔHioniz:
not known
Protons Released:
0.6000
ΔCp :
-0.34±0.02 (kJ/mole)
ΔS° :
0.05±n/a (kJ/mole-K)
Citation
 Todd, MJ; Luque, I; Velázquez-Campoy, A; Freire, 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:
Plasmid-encoded protease (Q7K/L33I/L63I ) expressed in Escherichia coli 1458
Purity:
99%
Prep. Method:
HIV-1 protease was purified and refolded from E. coli inclusion bodies.
Name:
HIV-1 Protease
Synonyms:
HIV-1 protease pseudo wildtype | HIV-1 Protease Triple Mutant
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
HIV-1 Protease Mutant (Q7K/L33I/L63I) chain A
Synonyms:
n/a
Type:
Enzyme Subunit
Mol. Mass.:
10782.21
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:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
HIV-1 Protease Mutant (Q7K/L33I/L63I) chain B
Synonyms:
n/a
Type:
Enzyme Subunit
Mol. Mass.:
10796.24
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:
PQITLWKRPLVTIKIGGQLKEALLDTGADDTVIEEMSLPGRWKPKMIGGIGGFIKVRQYDQIIIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
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:
BDBM519
Synonyms:
SQV | Invirase | CHEMBL114 | Ro 31-8959 | Fortovase | (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide | Saquinavir
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: