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Cell Reactant:HIV-1 Protease B Subtype
Syringe Reactant:BDBM520
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:06/22/04
 
ΔG°:-14.4± (kcal/mole)
pH:5±n/a
Log10Kb:10.5± 9.07
Temperature:298.15±n/a (K)
ΔH° :-3.70± (kcal/mole)
ΔHobs :-3.70± (kcal/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:not known
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :0.0400± (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. Biochemistry41:8613-9 (2002) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Instrument Info
 
HIV-1 Protease B 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 B Subtype
Synonyms:n/a
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:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
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:
PQVTLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM520
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
NameBDBM520
Synonyms:1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate | ABT-538 | CHEMBL163 | Norvir | RTV | Ritonavir
TypeSmall organic molecule
Emp. Form.C37H48N6O5S2
Mol. Mass.720.944
SMILESCC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
Structure
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