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Literature summary extracted from

  • Steuber, H.; Zentgraf, M.; Podjarny, A.; Heine, A.; Klebe, G.
    High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group (2006), J. Mol. Biol., 356, 45-56.
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
1.1.1.21 purified recombinant enzyme in complex with 6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2H)-one, 20 mg/ml protein in 50 mM diammonium hydrogen citrate, pH 5.0, mixed with NADP+-containing solution in a ratio 1:3, hanging drop vapour diffusion method, soaking in 6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2H)-one solution, containing 5% v/v isopropanol, 5% v/v DMSO, 5% w/v beta-cyclodextrin, 25% w/v PEG 6000, 50 mM diammonium hydrogen citrate pH 5.0, and saturated pyridazinone-type inhibitor, 20°C, 3 days, X-ray diffraction structure determination and analysis at 0.95-1.43 A resolution, modeling Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.1.1.21 6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3(2H)-one binding structure, inhibition mechanism, residues Trp111, His110, Thr113, Tyr48, Trp20, and Phe122, and the residues of the C-terminal loop Ala299, Leu300, Leu301, Ser302, Cys303 are involved, overview Homo sapiens
1.1.1.21 fidarestat complex formation with the enzyme Homo sapiens
1.1.1.21 IDD 594 binding structure, inhibition mechanism, overview Homo sapiens
1.1.1.21 minalrestat complex formation with the enzyme Homo sapiens
1.1.1.21 sorbinil complex formation with the enzyme Homo sapiens
1.1.1.21 Tolrestat
-
 Homo sapiens

Molecular Weight [Da]

EC Number Molecular Weight [Da] Molecular Weight Maximum [Da] Comment Organism
1.1.1.21 36000
-
 x * 36000, ALR2 is a TIM-barrel-shpaped aldo-keto reductase with a C-terminal loop, residues Ala299, Leu300, Leu301, Ser302, Cys303, involved in substrate and inhibitor binding Homo sapiens

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.1.1.21 aldose + NADPH + H+ Homo sapiens first and rate-limiting step in the polyol pathway alditol + NADP+
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
1.1.1.21 Homo sapiens P15121
-
-

Reaction

EC Number Reaction Comment Organism Reaction ID
1.1.1.21 alditol + NAD(P)+ = aldose + NAD(P)H + H+ reaction mechanism, catalytic residues are Tyr48, Lys77, and His110, C-terminal loop residues Ala299, Leu300, Leu301, Ser302, Cys303 are involved in substrate and inhibitor binding Homo sapiens
a

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.1.1.21 aldose + NADPH + H+
-
 Homo sapiens alditol + NADP+
-
 ?
1.1.1.21 aldose + NADPH + H+ first and rate-limiting step in the polyol pathway Homo sapiens alditol + NADP+
-
 ?

Subunits

EC Number Subunits Comment Organism
1.1.1.21 ? x * 36000, ALR2 is a TIM-barrel-shpaped aldo-keto reductase with a C-terminal loop, residues Ala299, Leu300, Leu301, Ser302, Cys303, involved in substrate and inhibitor binding Homo sapiens

Synonyms

EC Number Synonyms Comment Organism
1.1.1.21 aldose reductase
-
 Homo sapiens
1.1.1.21 ALR2
-
 Homo sapiens

Cofactor

EC Number Cofactor Comment Organism Structure
1.1.1.21 NADPH
-
 Homo sapiens