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TitleCrystal packing modifies ligand binding affinity: The case of aldose reductase.
Journal, issue, pagesProteins, Vol. 80, Page 2552-2561, Year 2012
Publish dateApr 3, 2007 (structure data deposition date)
AuthorsCousido-Siah, A. / Petrova, T. / Hazemann, I. / Mitschler, A. / Ruiz, F.X. / Howard, E. / Ginell, S. / Atmanene, C. / Van Dorsselaer, A. / Sanglier-Cianferani, S. ...Cousido-Siah, A. / Petrova, T. / Hazemann, I. / Mitschler, A. / Ruiz, F.X. / Howard, E. / Ginell, S. / Atmanene, C. / Van Dorsselaer, A. / Sanglier-Cianferani, S. / Joachimiak, A. / Podjarny, A.
External linksProteins / PubMed:22752989
MethodsX-ray diffraction
Resolution0.85 - 0.9 Å
Structure data

PDB-2pev:
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594.
Method: X-RAY DIFFRACTION / Resolution: 0.9 Å

PDB-2pf8:
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is equal to concentration of IDD594.
Method: X-RAY DIFFRACTION / Resolution: 0.85 Å

PDB-2pfh:
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution is less than concentration of IDD594.
Method: X-RAY DIFFRACTION / Resolution: 0.85 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-LDT:
IDD594

ChemComp-FID:
(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE / inhibitor*YM

ChemComp-CIT:
CITRIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / NADP / IDD594 / FIDARESTAT

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