Reaction Details | |||
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Cell Reactant: | HIV-1 Protease B Subtype Mutant (V82F/I84V) | ||
Syringe Reactant: | BDBM518 | ||
Meas. Tech.: | Isothermal Titration Calorimetry | ||
Entry Date: | 06/22/04 | ||
ΔG°: | -11.3± (kcal/mole) | ||
pH: | 5±n/a | ||
Log10Kb: | 8.28± 6.55 | ||
Temperature: | 298.15±n/a (K) | ||
ΔH° : | 4.40± (kcal/mole) | ||
ΔHobs : | 4.40± (kcal/mole) | ||
Ionic Strength: | n/a | ||
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, A; Vega, S; Freire, 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 Mutant (V82F/I84V) | |||
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 Mutant (V82F/I84V) | ||
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 B Subtype Mutant (V82F/I84V) chain A | ||
Synonyms: | HIV-1 Protease B Subtype Mutant (V82F/I84V) chain B | HIV-1 Protease Mutant (Q7K/V82F/I84V) | ||
Type: | Enzyme Subunit | ||
Mol. Mass.: | 10816.23 | ||
Organism: | Human immunodeficiency virus type 1 | ||
Description: | n/a | ||
Residue: | 99 | ||
Sequence: |
| ||
Component 2 | |||
Name: | HIV-1 Protease B Subtype Mutant (V82F/I84V) chain A | ||
Synonyms: | HIV-1 Protease B Subtype Mutant (V82F/I84V) chain B | HIV-1 Protease Mutant (Q7K/V82F/I84V) | ||
Type: | Enzyme Subunit | ||
Mol. Mass.: | 10816.23 | ||
Organism: | Human immunodeficiency virus type 1 | ||
Description: | n/a | ||
Residue: | 99 | ||
Sequence: |
| ||
BDBM518 | |||
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 | ||
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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