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TitleHuman Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
Journal, issue, pagesTo Be Published
Publish dateFeb 24, 2023 (structure data deposition date)
AuthorsKlee, L.-S. / Heine, A. / Klebe, G. / Scheer, F.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution0.94 Å
Structure data

PDB-8cnp:
Human Aldose Reductase Mutant L300G in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
Method: X-RAY DIFFRACTION / Resolution: 0.94 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-4G7:
3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid

ChemComp-CIT:
CITRIC ACID

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / human Aldose Reductase / hAR / Aldo-keto-reductase / mutant L300G / SAR_061 ligand / nadp+ / diabetes / ligand in transient pocket / no flip

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