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Ligands
Code Name Style Show Link
0LD (5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2h-pyrazolo[3,4-B]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
SO4 Sulfate ion
Non-standard Residues
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Glycosylation
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Code : 4GEB   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Kynurenine Aminotransferase II Inhibitors
Release Data : 2013-03-20
Compound :
mol_id molecule chains synonym
1 Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial A,B KAT/AadAT, 2-aminoadipate aminotransferase, 2-aminoadipate transaminase, Alpha-aminoadipate aminotransferase, AadAT, Kynurenine aminotransferase II, Kynurenine--oxoglutarate aminotransferase II, Kynurenine--oxoglutarate transaminase 2, Kynurenine--oxoglutarate transaminase II
ec: 2.6.1.39, 2.6.1.7
mutation: K240S, F241G
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: AADAT, KAT2
Authors : Pandit, J.
Keywords : Aminotransferase, irreversible inhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.1500 Å )
Citation :

PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency.

Dounay, A.B.,Anderson, M.,Bechle, B.M.  et al.
(2013)  Bioorg.Med.Chem.Lett.  23 : 1961 - 1966

PubMed: 23466229
DOI: 10.1016/j.bmcl.2013.02.039

Chain : A, B
UniProt : Q8N5Z0 (AADAT_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
2-oxoglutarate + glycine = glyoxylate + L-glutamate 2.6.1.4 PubMed:18620547
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2-oxoglutarate + L-kynurenine = H2O + kynurenate + L- glutamate 2.6.1.7 PubMed:18056995, PubMed:18620547
left-to-right PubMed:18056995, PubMed:18620547
glyoxylate + L-kynurenine = glycine + H2O + kynurenate 2.6.1.63 PubMed:18620547
left-to-right
3-hydroxy-L-kynurenine + glyoxylate = glycine + H2O + xanthurenate 2.6.1.63 PubMed:18620547
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2-oxohexanoate + L-kynurenine = H2O + kynurenate + L-2- aminohexanoate - PubMed:18620547
left-to-right
3-phenylpyruvate + L-kynurenine = H2O + kynurenate + L- phenylalanine - PubMed:18620547
left-to-right
4-methylsulfanyl-2-oxobutanoate + L-kynurenine = H2O + kynurenate + L-methionine - PubMed:18620547
left-to-right
2-oxo-3-sulfanylpropanoate + L-kynurenine = H2O + kynurenate + L-cysteine - PubMed:18620547
left-to-right
indole-3-pyruvate + L-kynurenine = H2O + kynurenate + L- tryptophan - PubMed:18620547
left-to-right
2-oxopentanoate + L-kynurenine = H2O + kynurenate + L-2- aminopentanoate - PubMed:18620547
left-to-right
4-methyl-2-oxopentanoate + L-kynurenine = H2O + kynurenate + L-leucine - PubMed:18620547
left-to-right
2-oxoglutarate + L-2-aminoadipate = 2-oxoadipate + L- glutamate 2.6.1.39 PubMed:12126930, PubMed:18620547
left-to-right PubMed:12126930
glyoxylate + L-methionine = 4-methylsulfanyl-2-oxobutanoate + glycine 2.6.1.73 PubMed:18620547
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glyoxylate + L-2-aminoadipate = 2-oxoadipate + glycine - PubMed:18620547
left-to-right
glyoxylate + L-tyrosine = 3-(4-hydroxyphenyl)pyruvate + glycine - PubMed:18620547
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glyoxylate + L-phenylalanine = 3-phenylpyruvate + glycine - PubMed:18620547
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glyoxylate + L-tryptophan = glycine + indole-3-pyruvate - PubMed:18620547
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glyoxylate + L-leucine = 4-methyl-2-oxopentanoate + glycine - PubMed:18620547
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2-oxobutanoate + L-kynurenine = (2S)-2-aminobutanoate + H2O + kynurenate - UniProtKB:Q64602
left-to-right
2-oxoadipate + L-kynurenine = H2O + kynurenate + L-2- aminoadipate - UniProtKB:Q64602
left-to-right