Cell Reactant:
Enoyl-ACP Reductase (FabI)
Syringe Reactant:
BDBM3911
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
04/13/05
ΔG°:
-45.8±n/a (kJ/mole)
pH:
7.5±n/a
Log10Kb:
7.5
Temperature:
298.15±n/a (K)
ΔH° :
-81.2±1.2 (kJ/mole)
ΔHobs :
-81.2±1.2 (kJ/mole)
Corrected for ΔHioniz:
not known
ΔCp :
-3.35±0.96 (kJ/mole)
Stoich. Param.:
0.65
ΔS° :
-0.1188±n/a (kJ/mole-K)
Citation
 Protasevich, IIBrouillette, CGSnow, MEDunham, SRubin, JRGogliotti, RSiegel, 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. Biochemistry 43:13380-9 (2004) [PubMed]  Article
Cell React
Source:
The His-tagged FabI was expressed and purified from E. coli
Purity:
Purity was not lower than 95%
Prep. Method:
The calorimetric titration of FabI was conducted in the presence of 0.5 mM NAD+.
Name:
Enoyl-ACP Reductase (FabI)
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)
Synonyms:
NADPH-dependent enoyl-ACP reductase
Type:
Enzyme Subunit
Mol. Mass.:
27729.92
Organism:
Escherichia coli
Description:
P0AEK4[2-262]
Residue:
261
Sequence:
GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNELELK
  
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:
Search PDB for entries with ligand similarity:
Syringe React
Source:
Organic Synthesis
Name:
BDBM3911
Synonyms:
2-(2-hydroxyphenoxy)-5-methylphenol | 5-methyl-2-(2-hydroxyphenoxy)phenol | PD200828
Type:
Small organic molecule
Emp. Form.:
C13H12O3
Mol. Mass.:
216.2326
SMILES:
Cc1ccc(Oc2ccccc2O)c(O)c1
Structure:
Search PDB for entries with ligand similarity: