8OMD

Crystal structure of mKHK in complex with compound-4

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	Ketohexokinase	polymer	316	34650.2	4	UniProt (A0A0J9YU79) Pfam (PF00294) UniProt (by SIFTS) (P97328) In PDB	Mus musculus (house mouse)
2	A, B, C, D	compound	non-polymer		486.6	4	Chemie (VTJ)
3		water	water		18.0	283	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 298 (UniProt: A0A0J9YU79)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	138601.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1946.5
All*	Total formula weight	140547.5

*Water molecules are not included.