Brand  (β version)

PDB ID: 3H4G

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Ligands
Code Name Style Show Link
FID (2s,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione PoSSuM
NAP Nadp nicotinamide-adenine-dinucleotide phosphate PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3H4G   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of aldehyde reductase holoenzyme in complex with potent aldose reductase inhibitor Fidarestat: Implications for inhibitor binding and selectivity
Release Data : 2009-05-05
Compound :
mol_id molecule chains synonym
1 Alcohol dehydrogenase [NADP+] A Aldehyde reductase, Aldo-keto reductase family 1 member A1
ec: 1.1.1.2
Source :
mol_id organism_scientific organism_common
1 Sus scrofa  (taxid:9823) Pigs
tissue: kidney
Authors : Carbone, V., El-Kabbani, O.
Keywords : TIM BARREL, ALDO-KETO REDUCTASE, TERNARY COMPLEX, NADP, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 1.85 Å )
Citation :

Structure of aldehyde reductase holoenzyme in complex with the potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity

El-Kabbani, O.,Carbone, V.,Darmanin, C.  et al.
(2005)  J.Med.Chem.  48 : 5536 - 5542

PubMed: 16107153
DOI: 10.1021/jm050412o

Reaction

Chain : A
UniProt : P50578 (AK1A1_PIG)
Reaction: EC: Evidence:
Physiological Direction:
a primary alcohol + NADP(+) = an aldehyde + NADPH + H(+) 1.1.1.2 PubMed:12732097
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glycerol + NADP(+) = D-glyceraldehyde + NADPH + H(+) 1.1.1.372 PubMed:12732097
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glycerol + NADP(+) = L-glyceraldehyde + NADPH + H(+) 1.1.1.372 PubMed:12732097
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L-gulonate + NADP(+) = aldehydo-D-glucuronate + NADPH + H(+) 1.1.1.19 UniProtKB:P51635
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L-gulono-1,4-lactone + NADP(+) = D-glucurono-3,6-lactone + NADPH + H(+) 1.1.1.20 UniProtKB:P51635
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allyl alcohol + NADP(+) = acrolein + NADPH + H(+) 1.1.1.54 UniProtKB:P51635
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hydroxyacetone + NADP(+) = methylglyoxal + NADPH + H(+) - UniProtKB:P51635
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3-deoxyfructose + NADP(+) = 3-deoxyglucosone + NADPH + H(+) - UniProtKB:P51635
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(R)-mevalonate + NADP(+) = (R)-mevaldate + NADPH + H(+) - UniProtKB:P51635
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pyridine 3-methanol + NADP(+) = pyridine-3-carbaldehyde + NADPH + H(+) - PubMed:12732097
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S-nitroso-CoA + NADPH + H(+) = sulfinamide-CoA + NADP(+) - UniProtKB:P14550
left-to-right
S-nitrosoglutathione + NADPH + H(+) = S- (hydroxysulfenamide)glutathione + NADP(+) - UniProtKB:Q9JII6
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