4RCH

Discovery of 2-Pyridyl Ureas as Glucokinase Activators

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Glucokinase	polymer	474	53026.2	1	UniProt (P35557) Pfam (PF00349) Pfam (PF03727) In PDB	Homo sapiens (human)	Hexokinase type IV, HK IV, Hexokinase-4, HK4, Hexokinase-D
2	A	alpha-D-glucopyranose	non-polymer		180.2	1	Chemie (GLC)
3	A	1-{3-[(2-ethylpyridin-3-yl)oxy]-5-(pyridin-2-ylsulfanyl)pyridin-2-yl}-3-methylurea	non-polymer		381.5	1	Chemie (3LZ)
4		water	water		18.0	25	Chemie (HOH)

Sequence modifications

A: 16 - 465 (UniProt: P35557)

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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	53026.2
Non-Polymers*	Number of molecules	2
	Total formula weight	561.6
All*	Total formula weight	53587.8

*Water molecules are not included.