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Reaction Details
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Cell Reactant:HIV-1 Protease C Subtype
Syringe Reactant:BDBM519
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:06/22/04
 
ΔG°:-12.4± (kcal/mole)
pH:5±n/a
Log10Kb:9.11± 7.53
Temperature:298.15±n/a (K)
ΔH° :2.10± (kcal/mole)
ΔHobs :2.10± (kcal/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:not known
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :0.0500± (kcal/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
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
HIV-1 Protease C Subtype
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 C 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 C Subtype chain A
Synonyms:HIV-1 Protease C Subtype chain B | HIV-1 Protease Mutant (Q7K/M36I/S37N/R41K/H69K/L89M)
Type:Enzyme Subunit
Mol. Mass.:10772.76
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVLEEINLPGKWKPKMIGGIGGFIKVRQYD
QILIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
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  Blast E-value cutoff:
Component 2
Name:HIV-1 Protease C Subtype chain A
Synonyms:HIV-1 Protease C Subtype chain B | HIV-1 Protease Mutant (Q7K/M36I/S37N/R41K/H69K/L89M)
Type:Enzyme Subunit
Mol. Mass.:10772.76
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVLEEINLPGKWKPKMIGGIGGFIKVRQYD
QILIEICGKKAIGTVLVGPTPVNIIGRNMLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM519
Source:Purified from commercial capsules
Purity:n/a
Prep. Method:Further purified by HPLC using a semipreparative C-18 reversed-phase column developed with 0-100% acetonitrile in 0.05% TFA
NameBDBM519
Synonyms:(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 | CHEMBL114 | Fortovase | Invirase | Ro 31-8959 | SQV | Saquinavir
TypeSmall organic molecule
Emp. Form.n/a
Mol. Mass.n/a
SMILESn/a
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:

   
    

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Last update November 1, 2007
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