Reaction Details | |||
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Cell Reactant: | Enoyl-ACP Reductase (FabI) Mutant (F203L) | ||
Syringe Reactant: | BDBM3913 | ||
Meas. Tech.: | Isothermal Titration Calorimetry | ||
Entry Date: | 04/13/05 | ||
ΔG°: | -37.7± (kJ/mole) | ||
pH: | 7.5±n/a | ||
Log10Kb: | 9.85± 9.46 | ||
Temperature: | 288.15±n/a (K) | ||
ΔH° : | -28.4±0.800 (kJ/mole) | ||
ΔHobs : | -28.4±0.800 (kJ/mole) | ||
Ionic Strength: | n/a | ||
no | |||
Protons Released: | n/a | ||
ΔCp : | -3.81±0.13 (kJ/mole) | ||
Stoich. Param.: | 0.58 | ||
ΔS° : | 0.0322± (kJ/mole-K) | ||
Comments: | n/a | ||
Citation | Protasevich, II; Brouillette, CG; Snow, ME; Dunham, S; Rubin, JR; Gogliotti, R; Siegel, K Role of inhibitor aliphatic chain in the thermodynamics of inhibitor binding to Escherichia coli enoyl-ACP reductase and the Phe203Leu mutant: a proposed mechanism for drug resistance. Biochemistry43:13380-9 (2004) [PubMed] Article | ||
More Info.: | Get all data from this article , ITC RUN data , Solution Info , Data Fit Method , Instrument Info | ||
Enoyl-ACP Reductase (FabI) Mutant (F203L) | |||
Source: | The His-tagged FabI (F203L) was expressed and purified from E. coli | ||
Purity: | Purity was not lower than 95% | ||
Prep. Method: | The calorimetric titration of FabI(F203L) was conducted in the presence of 0.5 mM NAD+. | ||
Name: | Enoyl-ACP Reductase (FabI) Mutant (F203L) | ||
Synonyms: | n/a | ||
Type: | Binary complex with a cofactor | ||
Mol. Mass.: | n/a | ||
Description: | n/a | ||
Components: | This complex has 2 components. | ||
Component 1 | |||
Name: | Enoyl-ACP Reductase (FabI) Mutant (F203L) | ||
Synonyms: | NADPH-dependent enoyl-ACP reductase | ||
Type: | Enzyme Subunit | ||
Mol. Mass.: | 27827.10 | ||
Organism: | Escherichia coli | ||
Description: | n/a | ||
Residue: | 262 | ||
Sequence: |
| ||
Component 2 | |||
Name | BDBM3909 | ||
Synonyms: | NAD+ | ||
Type | Nucleoside or nucleotide | ||
Emp. Form. | C21H27N7O14P2 | ||
Mol. Mass. | 663.4251 | ||
SMILES | NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r| | ||
Structure | |||
BDBM3913 | |||
Source: | Organic Synthesis | ||
Purity: | n/a | ||
Prep. Method: | n/a | ||
Name | BDBM3913 | ||
Synonyms: | 2-(2-hydroxyphenoxy)-5-propylphenol | 5-propyl-2-(2-hydroxyphenoxy)phenol | PD205405 | ||
Type | Small organic molecule | ||
Emp. Form. | C15H16O3 | ||
Mol. Mass. | 244.2857 | ||
SMILES | CCCc1ccc(Oc2ccccc2O)c(O)c1 | ||
Structure |
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