Brand  (β version)

PDB ID: 5LIY

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Ligands
Code Name Style Show Link
DQP {5-chloro-2-[(pentabromobenzyl)carbamoyl]phenoxy}acetic acid PoSSuM
EDO 1,2-ethanediol PoSSuM
NAP Nadp nicotinamide-adenine-dinucleotide phosphate PoSSuM
Non-standard Residues
Code Name Show
MLY N-dimethyl-lysine
MLZ N-methyl-lysine
Glycosylation
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Structure summary

Code : 5LIY   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK204
Release Data : 2016-10-12
Compound :
mol_id molecule chains synonym
1 Aldo-keto reductase family 1 member B10 X ARL-1,Aldose reductase-like,Aldose reductase-related protein,hARP,Small intestine reductase,SI reductase
ec: 1.1.1.-
mutation: K125R, V301L
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: AKR1B10, AKR1B11
Authors : Cousido-Siah, A., Ruiz, F.X., Mitschler, A., Fanfrlik, J., Kamlar, M., Vesely, J., Hobza, P., Podjarny, A.
Keywords : alpha-beta TIM barrel, cytosol, aldo-keto reductase, halogenated ligand, oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 2.05 Å )
Citation :

IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.

Cousido-Siah, A.,Ruiz, F.X.,Fanfrlik, J.  et al.
(2016)  Acs Chem.Biol.  11 : 2693 - 2705

PubMed: 27359042
DOI: 10.1021/acschembio.6b00382

Reaction

Chain : X
UniProt : O60218 (AK1BA_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
all-trans-retinol + NADP(+) = all-trans-retinal + H(+) + NADPH 1.1.1.300 PubMed:12732097, PubMed:18087047
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9-cis-retinol + NADP(+) = 9-cis-retinal + H(+) + NADPH - PubMed:12732097, PubMed:18087047
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13-cis-retinol + NADP(+) = 13-cis-retinal + H(+) + NADPH - PubMed:12732097
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allyl alcohol + NADP(+) = acrolein + H(+) + NADPH 1.1.1.54 PubMed:19563777
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(E)-4-hydroxynon-2-en-1-ol + NADP(+) = (E)-4-hydroxynon-2-enal + H(+) + NADPH - PubMed:19013440
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a 4-hydroxynonen-1-ol + NADP(+) = a 4-hydroxynonenal + H(+) + NADPH - PubMed:19563777
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NADP(+) + prenol = 3-methyl-2-butenal + H(+) + NADPH - PubMed:19563777
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(E)-hex-2-en-1-ol + NADP(+) = (E)-hex-2-enal + H(+) + NADPH - PubMed:19563777
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(E,E)-2,4-hexadien-1-ol + NADP(+) = (E,E)-2,4-hexadienal + H(+) + NADPH - PubMed:19563777
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(E)-4-oxonon-2-en-1-ol + NADP(+) = (E)-4-oxonon-2-enal + H(+) + NADPH - PubMed:19013440
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4-methylpentan-1-ol + NADP(+) = 4-methylpentanal + H(+) + NADPH - PubMed:19013440
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