4GE9

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, C, D (A, B, C, D)	Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial	polymer	439	48950.1	4	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	E, F, G, H (A, B, C, D)	(4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate	non-polymer		527.5	4	Chemie (0L0)
3	I, J, K, L (A, B, C, D)	water	water		18.0	745	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	195800.3
Non-Polymers*	Number of molecules	4
	Total formula weight	2109.9
All*	Total formula weight	197910.1

*Water molecules are not included.