Reaction Details | |||
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Cell Reactant: | HIV-1 Protease C Subtype | ||
Syringe Reactant: | BDBM580 | ||
Meas. Tech.: | Isothermal Titration Calorimetry | ||
Entry Date: | 06/22/04 | ||
ΔG°: | -14.9± (kcal/mole) | ||
pH: | 5±n/a | ||
Log10Kb: | 10.9± 9.53 | ||
Temperature: | 298.15±n/a (K) | ||
ΔH° : | -7.5± (kcal/mole) | ||
ΔHobs : | -7.5± (kcal/mole) | ||
Ionic Strength: | n/a | ||
not known | |||
Protons Released: | n/a | ||
ΔCp : | n/a | ||
Stoich. Param.: | n/a | ||
ΔS° : | 0.0200± (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 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: |
| ||
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: |
| ||
BDBM580 | |||
Source: | From Dr. Kiso, Department of Medicinal Chemistry, Kyoto Pharmaceutical University, Kyoto, Japan). | ||
Purity: | n/a | ||
Prep. Method: | were used without further purification | ||
Name | BDBM580 | ||
Synonyms: | (4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide | AG1776 | BDBM50288366 | JE-2147 | KNI-764 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H37N3O5S | ||
Mol. Mass. | 575.718 | ||
SMILES | Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C |r| | ||
Structure |
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