Reaction Details  Report a problem with these data
Cell Reactant:
Aldose Reductase (ALR2) Mutant (L300P)
Syringe Reactant:
BDBM16512
Meas. Tech.:
Isothermal Titration Calorimetry
Entry Date.:
2007-07-18
ΔG°:
-9.31±n/a (kcal/mole)
pH:
8.0000±n/a
Log10Kb:
6.2
Temperature:
298.0000±n/a (K)
ΔHobs :
-16.41±0.33 (kJ/mole)
Corrected for ΔHioniz:
no
ΔS° :
-0.02±n/a (kJ/mole-K)
Citation
 Petrova, T; Steuber, H; Hazemann, I; Cousido-Siah, A; Mitschler, A; Chung, R; Oka, M; Klebe, G; El-Kabbani, O; Joachimiak, A; Podjarny, A Factorizing selectivity determinants of inhibitor binding toward aldose and aldehyde reductases: structural and thermodynamic properties of the aldose reductase mutant Leu300Pro-fidarestat complex. J Med Chem 48:5659-65 (2005) [PubMed]  Article
Cell React
Source:
Human aldose reductase was expressed and purified in E. coli.
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 (ALR2) Mutant (L300P)
Synonyms:
AR
Type:
Enzyme
Mol. Mass.:
36121.22
Organism:
Human
Description:
n/a
Residue:
319
Sequence:
GSHMASRILLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCAPLSCTSHKDYPFHEEF
  
Syringe React
Name:
BDBM16512
Synonyms:
(2S,4S)-6-fluoro-2,5-dioxo-2,3-dihydrospiro[chromene-4,4-imidazolidine]-2-carboxamide | CHEMBL84446 | (2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2-carboxamide | Fidarestat | Fidarestat (1)
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: