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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Cell Reactant: | HIV-1 Protease Mutant, ANAM-11 | ||
| Syringe Reactant: | BDBM519 | ||
| Meas. Tech.: | Isothermal Titration Calorimetry | ||
| Entry Date: | 06/23/04 | ||
| ΔG°: | -7.68± (kcal/mole) | ||
| pH: | 5±n/a | ||
| Log10Kb: | 5.63± 4.69 | ||
| Temperature: | 298.15±n/a (K) | ||
| ΔH° : | 9.60± (kcal/mole) | ||
| ΔHobs : | 9.60± (kcal/mole) | ||
| Ionic Strength: | n/a | ||
| not known | |||
| Protons Released: | n/a | ||
| ΔCp : | n/a | ||
| Stoich. Param.: | n/a | ||
| ΔS° : | 0.0600± (kcal/mole-K) | ||
| Comments: | In displacement titration experiments, inhibitors were injected into the calorimetric cell containing the protein prebound to a weak inhibitor, acetylpepstatin | ||
| Citation |  Muzammil, S; Muzammil, S; Ross, P; Ross, P; Freire, E; Freire, E A major role for a set of non-active site mutations in the development of HIV-1 protease drug resistance. Biochemistry42:631-8 (2003) [PubMed] Article | ||
| More Info.: | Get all data from this article , ITC RUN data , Solution Info , Data Fit Method , Instrument Info | ||
| HIV-1 Protease Mutant, ANAM-11 | |||
| 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: | Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,S526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] | ||
| Synonyms: | HIV-1 Protease Mutant, ANAM-11 | ||
| 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,L499I,M525I,S526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] | ||
| Synonyms: | HIV-1 Protease Mutant (Q7K/L10I/M36I/S37D/M46I/R57K/L63P/A71V/G73S/I84V/L90M/I93L) | HIV-1 Protease Mutant, ANAM-11 chain A | HIV-1 Protease Mutant, ANAM-11 chain B | POL_HV1H2 | gag-pol | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 10791.17 | ||
| 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: |
| ||
| Component 2 | |||
| Name: | Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,S526D,M535I,R546K,L552P,A560V,G562S,I573V,L579M,I582L] | ||
| Synonyms: | HIV-1 Protease Mutant (Q7K/L10I/M36I/S37D/M46I/R57K/L63P/A71V/G73S/I84V/L90M/I93L) | HIV-1 Protease Mutant, ANAM-11 chain A | HIV-1 Protease Mutant, ANAM-11 chain B | POL_HV1H2 | gag-pol | ||
| Type: | Enzyme Subunit | ||
| Mol. Mass.: | 10791.17 | ||
| 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: |
| ||
| 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 | ||
| Name | BDBM519 | ||
| 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 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C38H50N6O5 | ||
| Mol. Mass. | 670.8408 | ||
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |@:16| | ||
| Structure | 
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