Brand  (β version)

PDB ID: 3UE8

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Ligands
Code Name Style Show Link
09M (5-hydroxy-4-{[(1-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate PoSSuM
CL Chloride ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3UE8   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Kynurenine Aminotransferase II Inhibitors
Release Data : 2012-02-01
Compound :
mol_id molecule chains synonym
1 Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial A,B 2-aminoadipate aminotransferase, 2-aminoadipate transaminase, Alpha-aminoadipate aminotransferase, AadAT, KAT/AadAT, Kynurenine aminotransferase II, Kynurenine--oxoglutarate aminotransferase II, Kynurenine--oxoglutarate transaminase II
ec: 2.6.1.39, 2.6.1.7
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: AADAT, KAT2
Authors : Dounay, A.B., Anderson, M., Bechle, B.M., Campbell, B.M., Claffey, M.M., Evdokimov, A., Edelweiss, E., Fonseca, K.R., Gan, X., Ghosh, S., Hayward, M.M., Horner, W., Kim, J.Y., McAllister, L.A., Pandit, J., Paradis, V., Parikh, V.D., Reese, M.R., Rong, S.B., Salafia, M.A., Schuyten, K., Strick, C.A., Tuttle, J.B., Valentine, J., Wang, H., Zawadzke, L.E., Verhoest, P.R.
Keywords : KAT II, kynurenine aminotransferase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 3.22 Å )
Citation :

Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.

Dounay, A.B.,Anderson, M.,Bechle, B.M.  et al.
(2012)  ACS Med Chem Lett  3 : 187 - 192

PubMed: 24900455
DOI: 10.1021/ml200204m

Reaction

Chain : A, B
UniProt : Q8N5Z0 (AADAT_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
glycine + 2-oxoglutarate = glyoxylate + L-glutamate 2.6.1.4 PubMed:18620547
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L-kynurenine + 2-oxoglutarate = kynurenate + L-glutamate + H2O 2.6.1.7 PubMed:18056995, PubMed:18620547
left-to-right
L-kynurenine + glyoxylate = kynurenate + glycine + H2O 2.6.1.63 PubMed:18620547
left-to-right
3-hydroxy-L-kynurenine + glyoxylate = xanthurenate + glycine + H2O 2.6.1.63 PubMed:18620547
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2-oxohexanoate + L-kynurenine = L-2-aminohexanoate + kynurenate + H2O - PubMed:18620547
left-to-right
3-phenylpyruvate + L-kynurenine = kynurenate + L-phenylalanine + H2O - PubMed:18620547
left-to-right
4-methylsulfanyl-2-oxobutanoate + L-kynurenine = kynurenate + L-methionine + H2O - PubMed:18620547
left-to-right
2-oxo-3-sulfanylpropanoate + L-kynurenine = kynurenate + L- cysteine + H2O - PubMed:18620547
left-to-right
indole-3-pyruvate + L-kynurenine = kynurenate + L-tryptophan + H2O - PubMed:18620547
left-to-right
2-oxopentanoate + L-kynurenine = L-2-aminopentanoate + kynurenate + H2O - PubMed:18620547
left-to-right
4-methyl-2-oxopentanoate + L-kynurenine = kynurenate + L- leucine + H2O - PubMed:18620547
left-to-right
L-2-aminoadipate + 2-oxoglutarate = 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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L-2-aminoadipate + glyoxylate = 2-oxoadipate + glycine - PubMed:18620547
left-to-right
L-tyrosine + glyoxylate = 3-(4-hydroxyphenyl)pyruvate + glycine - PubMed:18620547
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glyoxylate + L-phenylalanine = 3-phenylpyruvate + glycine - PubMed:18620547
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L-tryptophan + glyoxylate = indole-3-pyruvate + glycine - PubMed:18620547
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L-leucine + glyoxylate = 4-methyl-2-oxopentanoate + glycine - PubMed:18620547
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2-oxobutanoate + L-kynurenine = (2S)-2-aminobutanoate + kynurenate + H2O - UniProtKB:Q64602
left-to-right
2-oxoadipate + L-kynurenine = L-2-aminoadipate + kynurenate + H2O - UniProtKB:Q64602
left-to-right
Cofactor: Evidence: Note:
pyridoxal 5'-phosphate ECO:0000269 | PubMed:12126930
ECO:0000269 | PubMed:18056995
ECO:0000269 | PubMed:18056996
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