Reaction Details | |||
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Cell Reactant: | HIV-1 Protease Mutant (V82F/I84V) | ||
Syringe Reactant: | BDBM517 | ||
Meas. Tech.: | Isothermal Titration Calorimetry | ||
Entry Date: | 04/20/04 | ||
ΔG°: | -9.20± (kcal/mole) | ||
pH: | 5±n/a | ||
Log10Kb: | n/a | ||
Temperature: | 298.15±n/a (K) | ||
ΔH° : | 5.90±0.200 (kcal/mole) | ||
ΔHobs : | 5.84± (kcal/mole) | ||
Ionic Strength: | n/a | ||
not known | |||
Protons Released: | 0.5 | ||
ΔCp : | -0.58±0.06 (kcal/mole) | ||
Stoich. Param.: | n/a | ||
ΔS° : | 0.0500± (kcal/mole-K) | ||
Comments: | n/a | ||
Citation | Todd, MJ; Luque, I; Velázquez-Campoy, A; Freire, E Thermodynamic basis of resistance to HIV-1 protease inhibition: calorimetric analysis of the V82F/I84V active site resistant mutant. Biochemistry39:11876-83 (2000) [PubMed] Article | ||
More Info.: | Get all data from this article , ITC RUN data , Solution Info , Data Fit Method , Instrument Info | ||
HIV-1 Protease Mutant (V82F/I84V) | |||
Source: | mutations at position 82 and 84 were introduced using an in vitro site-directed mutagenesis kit, mutant protease was expressed in BL21/DE3 | ||
Purity: | 99% | ||
Prep. Method: | HIV-1 protease was purified and refolded from E. coli inclusion bodies. | ||
Name: | HIV-1 Protease 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 Mutant (V82F/I84V) chain A | ||
Synonyms: | HIV-1 Protease Mutant (V82F/I84V) chain B | ||
Type: | Enzyme Subunit | ||
Mol. Mass.: | 10816.23 | ||
Organism: | Human immunodeficiency virus type 1 | ||
Description: | Using plasmid-encoded mutant protease (Q7K/L33I/L63I designed to remove three hypersensitive autolytic sites) for the stability of protease. | ||
Residue: | 99 | ||
Sequence: |
| ||
Component 2 | |||
Name: | HIV-1 Protease Mutant (V82F/I84V) chain A | ||
Synonyms: | HIV-1 Protease Mutant (V82F/I84V) chain B | ||
Type: | Enzyme Subunit | ||
Mol. Mass.: | 10816.23 | ||
Organism: | Human immunodeficiency virus type 1 | ||
Description: | Using plasmid-encoded mutant protease (Q7K/L33I/L63I designed to remove three hypersensitive autolytic sites) for the stability of protease. | ||
Residue: | 99 | ||
Sequence: |
| ||
BDBM517 | |||
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 | BDBM517 | ||
Synonyms: | (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}butyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide | CHEMBL115 | Crixivan | INDINAVIR SULFATE | Indinavir | Indinavir, 19 | L-735, 524 | MK639 | ||
Type | Small organic molecule | ||
Emp. Form. | C36H47N5O4 | ||
Mol. Mass. | 613.7895 | ||
SMILES | CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9| | ||
Structure |
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