8FF8

CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 2-[(4-CYANOPHENYL)AMINO]-N-(4-PHENYLPYRIDIN-3-YL)PYRIMIDINE-4-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	Glycogen synthase kinase-3 beta	polymer	441	49294.8	2	UniProt (P49841) Pfam (PF00069) In PDB	Homo sapiens (human)	GSK-3 beta,Serine/threonine-protein kinase GSK3B
2	A, B	2-(4-cyanoanilino)-N-(4-phenylpyridin-3-yl)pyrimidine-4-carboxamide	non-polymer		392.4	2	Chemie (XV0)
3		water	water		18.0	227	Chemie (HOH)

Sequence modifications

A, B: 1 - 420 (UniProt: P49841)

PDB	External Database	Details
Met -20	-	initiating methionine
His -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	98589.7
Non-Polymers*	Number of molecules	2
	Total formula weight	784.8
All*	Total formula weight	99374.5

*Water molecules are not included.