4GDY

Kynurenine Aminotransferase II inhibitors

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial	polymer	439	48950.1	2	UniProt (Q8N5Z0) Pfam (PF00155)	Homo sapiens (human)	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
2	C, D (A, B)	(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	non-polymer		523.4	2	Chemie (0X1)
3	E, F (A, B)	water	water		18.0	217	Chemie (HOH)

Sequence modifications

A, B: 1 - 425 (UniProt: Q8N5Z0)

PDB	External Database	Details
Ser 240	Lys 240	engineered mutation
Gly 241	Phe 241	engineered mutation
Leu 426	-	expression tag
Val 427	-	expression tag
Pro 428	-	expression tag
Arg 429	-	expression tag
Gly 430	-	expression tag
Ser 431	-	expression tag
Leu 432	-	expression tag
Glu 433	-	expression tag
His 434	-	expression tag
His 435	-	expression tag
His 436	-	expression tag
His 437	-	expression tag
His 438	-	expression tag
His 439	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	97900.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1046.9
All*	Total formula weight	98947.0

*Water molecules are not included.