6T8P

HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

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	452	50991.1	2	UniProt (Q8N5Z0) Pfam (PF00155) In PDB	Homo sapiens	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	3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide	non-polymer		441.5	4	Chemie (MVT)
3	A, B	IODIDE ION	non-polymer		126.9	7	Chemie (IOD)
4	B	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5		water	water		18.0	567	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -26	-	initiating methionine
Ser -25	-	expression tag
Tyr -24	-	expression tag
Tyr -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Asp -16	-	expression tag
Tyr -15	-	expression tag
Asp -14	-	expression tag
Ile -13	-	expression tag
Pro -12	-	expression tag
Thr -11	-	expression tag
Thr -10	-	expression tag
Glu -9	-	expression tag
Asn -8	-	expression tag
Leu -7	-	expression tag
Tyr -6	-	expression tag
Phe -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Ala -2	-	expression tag
Met -1	-	expression tag
Glu 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	101982.3
Non-Polymers*	Number of molecules	14
	Total formula weight	2840.5
All*	Total formula weight	104822.8

*Water molecules are not included.