5HG1

Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Hexokinase-2	polymer	922	102945.3	1	UniProt (P52789) Pfam (PF00349) Pfam (PF03727)	Homo sapiens (Human)	Hexokinase type II,HK II,Muscle form hexokinase
2	B, C (A)	2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose	non-polymer		378.2	2	Chemie (62C)
3	D (A)	6-O-phosphono-beta-D-glucopyranose	non-polymer		260.1	1	Chemie (BG6)
4	E (A)	CITRATE ANION	non-polymer		189.1	1	Chemie (FLC)
5	F (A)	water	water		18.0	8	Chemie (HOH)

Sequence modifications

A: 17 - 916 (UniProt: P52789)

PDB	External Database	Details
Met -5	-	initiating methionine
Gly -4	-	expression tag
Ser -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
Ser 5	-	expression tag
Ser 6	-	expression tag
Gly 7	-	expression tag
Leu 8	-	expression tag
Glu 9	-	expression tag
Asn 10	-	expression tag
Leu 11	-	expression tag
Tyr 12	-	expression tag
Phe 13	-	expression tag
Gln 14	-	expression tag
Gly 15	-	expression tag
Ser 16	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	102945.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1205.6
All*	Total formula weight	104151.0

*Water molecules are not included.