Brand  (β version)

PDB ID: 3UE8

Hetero Atom Contents

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

Structure summary

Code : 3UE8
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 : L-kynurenine + 2-oxoglutarate = 4-(2- aminophenyl)-2,4-dioxobutanoate + L-glutamate.
L-2-aminoadipate + 2-oxoglutarate = 2- oxoadipate + L-glutamate.