4GEB

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	Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial	polymer	439	48950.1	2	UniProt (Q8N5Z0) Pfam (PF00155) In PDB	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	A, B	(5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate	non-polymer		473.4	2	Chemie (0LD)
3	A, B	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4		water	water		18.0	805	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	6
	Total formula weight	1331.0
All*	Total formula weight	99231.2

*Water molecules are not included.