8OMJ

hKHK-C in complex with compound 28

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Ketohexokinase	polymer	313	34076.6	2	UniProt (P50053) Pfam (PF00294) In PDB	Homo sapiens (human)	Hepatic fructokinase
2	A, B	[3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid	non-polymer		527.5	2	Chemie (VTM)
3	B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4		water	water		18.0	398	Chemie (HOH)

Sequence modifications

A, B: 5 - 298 (UniProt: P50053)

PDB	External Database	Details
Met -14	-	initiating methionine
Gly -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Ser -4	-	expression tag
Ser -3	-	expression tag
Gly -2	-	expression tag
Leu -1	-	expression tag
Val 0	-	expression tag
Pro 1	-	expression tag
Arg 2	-	expression tag
Gly 3	-	expression tag
Ser 4	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	68153.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1247.1
All*	Total formula weight	69400.3

*Water molecules are not included.