Reaction Details  Report a problem with these data
Cell Reactant:
HIV-1 Protease
Syringe Reactant:
BDBM518
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
06/23/04
ΔG°:
-54.758±n/a (kJ/mole)
pH:
5±n/a
Log10Kb:
7.9
Temperature:
298.15±n/a (K)
ΔH° :
10.868±n/a (kJ/mole)
ΔHobs :
10.868±n/a (kJ/mole)
Corrected for ΔHioniz:
not known
ΔS° :
0.2202±n/a (kJ/mole-K)
Comments:
Adapted from Velazquez-Campoy, A., Kiso, Y., and Freire, E. (2001) Arch. Biochem. Biophys. 390, 169-175.
Citation
 Muzammil, S; Muzammil, S; Ross, P; Ross, P; Freire, E; Freire, E A major role for a set of non-active site mutations in the development of HIV-1 protease drug resistance. Biochemistry 42:631-8 (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:
Dimer of Gag-Pol polyprotein [489-587,Q496K]
Synonyms:
HIV-1 Protease | HIV-1 Protease (Q7K)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587,Q496K]
Synonyms:
HIV-1 Protease (Q7K) chain A | HIV-1 Protease (Q7K) chain B | HIV-1 Protease B Subtype chain A | HIV-1 Protease B Subtype chain B | HIV-1 Protease Mutant (Q7K) | HIV-1 Protease chain A | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10782.21
Organism:
Human immunodeficiency virus type 1
Description:
All of the protease constructs in this study are on the wild type containing the single Q7K mutation to prevent autocatalysis.This protein has enzymatic properties similar to that of the wild type protease.
Residue:
99
Sequence:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587,Q496K]
Synonyms:
HIV-1 Protease (Q7K) chain A | HIV-1 Protease (Q7K) chain B | HIV-1 Protease B Subtype chain A | HIV-1 Protease B Subtype chain B | HIV-1 Protease Mutant (Q7K) | HIV-1 Protease chain A | POL_HV1H2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10782.21
Organism:
Human immunodeficiency virus type 1
Description:
All of the protease constructs in this study are on the wild type containing the single Q7K mutation to prevent autocatalysis.This protein has enzymatic properties similar to that of the wild type protease.
Residue:
99
Sequence:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
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.:
C32H45N3O4S
Mol. Mass.:
567.782
SMILES:
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |@@:23|
Structure:
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