BindingDB logo
myBDB logout
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:07/18/07
 
ΔG°:-9.31± (kcal/mole)
pH:8±n/a
Log10Kb:6.81± 6.23
Temperature:298±n/a (K)
ΔH° :n/a
ΔHobs :-16.4±0.330 (kcal/mole)
Ionic Strength:n/a
Corrected for ΔHioniz:no
Protons Released:n/a
ΔCp :n/a
Stoich. Param.:n/a
ΔS° :-0.0200± (kcal/mole-K)
Comments:n/a
 
Citation Petrova, TSteuber, HHazemann, ICousido-Siah, AMitschler, AChung, ROka, MKlebe, GEl-Kabbani, OJoachimiak, APodjarny, 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 Chem48:5659-65 (2005) [PubMed]  Article
More Info.:  Get all data from this article ,  ITC RUN data ,  Solution Info ,  Data Fit Method ,  Instrument Info
 
Aldose Reductase (ALR2) Mutant (L300P)
Source:Human aldose reductase was expressed and purified in 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 (ALR2) Mutant (L300P)
Synonyms:AR
Type:Enzyme
Mol. Mass.:36121.22
Organism:Homo sapiens (Human)
Description:n/a
Residue:319
Sequence:
GSHMASRILLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGV
AIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFK
PGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLK
YKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAI
AAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWR
VCAPLSCTSHKDYPFHEEF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM16512
Source:n/a
Purity:n/a
Prep. Method:n/a
NameBDBM16512
Synonyms:(2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2-carboxamide | (2S,4S)-6-fluoro-2,5-dioxo-2,3-dihydrospiro[chromene-4,4-imidazolidine]-2-carboxamide | CHEMBL84446 | Fidarestat | Fidarestat (1)
TypeSmall organic molecule
Emp. Form.C12H10FN3O4
Mol. Mass.279.2239
SMILESNC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:

   
    

Home

|

Search

|

Deposit

|

SiteMap

|

About us

|

Email us

|

Info

 
Last update November 1, 2007
©2000 BindingDB. All rights reserved.