4J36

Cocrystal Structure of kynurenine 3-monooxygenase in complex with UPF 648 inhibitor(KMO-394UPF)

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 3-monooxygenase	polymer	415	47046.8	2	UniProt (P38169) Pfam (PF01494)	Saccharomyces cerevisiae (Baker's yeast)	Biosynthesis of nicotinic acid protein 4, Kynurenine 3-hydroxylase
2	C, D (A, B)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	E (B)	(1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid	non-polymer		259.1	1	Chemie (1HR)
4	F, G (A, B)	water	water		18.0	359	Chemie (HOH)

Sequence modifications

A, B: 1 - 394 (UniProt: P38169)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	94093.5
Non-Polymers*	Number of molecules	3
	Total formula weight	1830.2
All*	Total formula weight	95923.7

*Water molecules are not included.