Brand  (β version)

PDB ID: 1X97

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

Code : 1X97   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of Aldose Reductase complexed with 2R4S (Stereoisomer of Fidarestat, 2S4S)
Release Data : 2004-09-07
Compound :
mol_id molecule chains
1 Aldose Reductase A
ec: 1.1.1.21
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21  (taxid:511693)
expression_system_strain: BL21
expression_system_vector_type: PLASMID
expression_system_plasmid: PET15B
Authors : El-Kabbani, O., Darmanin, C., Oka, M., Schulze-Briese, C., Tomizaki, T., Hazemann, I., Mitschler, A., Podjarny, A.
Keywords : Eight strandard alpha/beta barrel, active site, the C-terminal end of the barrel, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 1.40 Å )
Citation :

High-Resolution Structures of Human Aldose Reductase Holoenzyme in Complex with Stereoisomers of the Potent Inhibitor Fidarestat: Stereospecific Interaction between the Enzyme and a Cyclic Imide Type Inhibitor

El-Kabbani, O.,Darmanin, C.,Oka, M.  et al.
(2004)  J.Med.Chem.  47 : 4530 - 4537

PubMed: 15317464
DOI: 10.1021/jm0497794

Reaction

Chain : A
UniProt : P15121 (ALDR_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
an alditol + NADP(+) = an aldose + H(+) + NADPH 1.1.1.21 PubMed:8245005
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all-trans-retinol + NADP(+) = all-trans-retinal + H(+) + NADPH 1.1.1.300 PubMed:12732097, PubMed:21329680
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9-cis-retinol + NADP(+) = 9-cis-retinal + H(+) + NADPH - PubMed:12732097, PubMed:21329680
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13-cis-retinol + NADP(+) = 13-cis-retinal + H(+) + NADPH - PubMed:12732097
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glycerol + NADP(+) = D-glyceraldehyde + H(+) + NADPH 1.1.1.372 PubMed:10510318, PubMed:12732097, PubMed:1936586, PubMed:21329680, PubMed:8245005
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glycerol + NADP(+) = H(+) + L-glyceraldehyde + NADPH 1.1.1.372 PubMed:10510318, PubMed:12732097, PubMed:1936586, PubMed:21329680, PubMed:8245005
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NADP(+) + prenol = 3-methyl-2-butenal + H(+) + NADPH - PubMed:21329684
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(E)-hex-2-en-1-ol + NADP(+) = (E)-hex-2-enal + H(+) + NADPH - PubMed:21329684
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(E,E)-2,4-hexadien-1-ol + NADP(+) = (E,E)-2,4-hexadienal + H(+) + NADPH - PubMed:21329684
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a 4-hydroxynonen-1-ol + NADP(+) = a 4-hydroxynonenal + H(+) + NADPH - PubMed:21329684
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NADP(+) + prostaglandin F2alpha = H(+) + NADPH + prostaglandin H2 - PubMed:19010934
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allyl alcohol + NADP(+) = acrolein + H(+) + NADPH 1.1.1.54 PubMed:10510318, PubMed:21329684
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NADP(+) + pyridine 3-methanol = H(+) + NADPH + pyridine-3- carbaldehyde - PubMed:12732097
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1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine + H(+) + NADPH = 1-hexadecanoyl-2-(5-hydroxypentanoyl)-sn-glycero-3- phosphocholine + NADP(+) - PubMed:17381426
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1-hexadecanoyl-2-(7-oxoheptanoyl)-sn-glycero-3-phosphocholine + H(+) + NADPH = 1-hexadecanoyl-2-(7-hydroxyheptanoyl)-sn-glycero-3- phosphocholine + NADP(+) - PubMed:17381426
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1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine + H(+) + NADPH = 1-hexadecanoyl-2-(9-hydroxynonanoyl)-sn-glycero-3- phosphocholine + NADP(+) - PubMed:17381426
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1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3- phosphoethanolamine + H(+) + NADPH = 1-hexadecanoyl-2-(5- hydroxypentanoyl)-sn-glycero-3-phosphoethanolamine + NADP(+) - PubMed:17381426
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