Brand  (β version)

PDB ID: 4GDY

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
0X1 (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 4GDY   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Kynurenine Aminotransferase II inhibitors
Release Data : 2012-08-29
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, Pyridoxal phosphate co-factor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.8900 Å )
Citation :

Discovery of Hydroxamate Bioisosteres as KATII Inhibitors with Improved Oral Bioavailability and Pharmacokinetics

Verhoest, P.R.,Henderson, J.L.,Sawant-Basak, A.  et al.
(2012)  MEDCHEMCOMM 

DOI: 10.1039/C2MD20166F

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
-
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
-
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
-
L-2-aminoadipate + glyoxylate = 2-oxoadipate + glycine - PubMed:18620547
left-to-right
L-tyrosine + glyoxylate = 3-(4-hydroxyphenyl)pyruvate + glycine - PubMed:18620547
-
glyoxylate + L-phenylalanine = 3-phenylpyruvate + glycine - PubMed:18620547
-
L-tryptophan + glyoxylate = indole-3-pyruvate + glycine - PubMed:18620547
-
L-leucine + glyoxylate = 4-methyl-2-oxopentanoate + glycine - PubMed:18620547
-
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
-