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Cell Reactant:Aldose reductase (AR)
Syringe Reactant:BDBM16239
Meas. Tech.:Isothermal Titration Calorimetry
Entry Date:06/09/07
 
ΔG°:-10.1± (kcal/mole)
pH:8±n/a
Log10Kb:7.40± 6.61
Temperature:298±n/a (K)
ΔH° :n/a
ΔHobs :-18.9±0.330 (kcal/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:no
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :-0.0300± (kcal/mole-K)
Comments:n/a
 
Citation Steuber, HHeine, AKlebe, G Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution. J Mol Biol368:618-38 (2007) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Data Fit Method ,  Instrument Info
 
Aldose reductase (AR)
Source:Protein was expressed and purified from E. coli.
Purity:n/a
Prep. Method:The protein was saturated with an excess of NADP+. Solution was degassed at 293K under vacuum for 10 min. Upon experimental setup, the protein solution in the sample cell was stirred at 400 rpm.
Name:Aldose reductase
Synonyms:AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase
Type:Protein
Mol. Mass.:35855.50
Organism:Homo sapiens (Human)
Description:P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
LLSCTSHKDYPFHEEF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM16239
Source:Provided by Dr. A. Podjarny, IGBMC, Illkirch, France.
Purity:n/a
Prep. Method:n/a
NameBDBM16239
Synonyms:2-(5-chloro-2-{[(3-nitrophenyl)methyl]carbamoyl}phenoxy)acetic acid | CHEMBL241577 | IDD 393 | IDD393 (3) | {5-chloro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid
TypeSmall organic molecule
Emp. Form.C16H13ClN2O6
Mol. Mass.364.737
SMILESOC(=O)COc1cc(Cl)ccc1C(=O)NCc1cccc(c1)[N+]([O-])=O
Structure

   
    

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Last update November 1, 2007
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