4ACD

GSK3b in complex with inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	GLYCOGEN SYNTHASE KINASE-3 BETA	polymer	465	52074.9	2	UniProt (P49841) Pfam (PF00069)	HOMO SAPIENS (HUMAN)	GSK-3 BETA, SERINE/THREONINE-PROTEIN KINASE GSK3B,
2	C, D (A, B)	3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE	non-polymer		453.5	2	Chemie (GR9)
3	E, F (A, B)	water	water		18.0	331	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -44	-	expression tag
Ser -43	-	expression tag
Tyr -42	-	expression tag
Tyr -41	-	expression tag
His -40	-	expression tag
His -39	-	expression tag
His -38	-	expression tag
His -37	-	expression tag
His -36	-	expression tag
His -35	-	expression tag
Asp -34	-	expression tag
Tyr -33	-	expression tag
Asp -32	-	expression tag
Ile -31	-	expression tag
Pro -30	-	expression tag
Thr -29	-	expression tag
Thr -28	-	expression tag
Glu -27	-	expression tag
Asn -26	-	expression tag
Leu -25	-	expression tag
Tyr -24	-	expression tag
Phe -23	-	expression tag
Gln -22	-	expression tag
Gly -21	-	expression tag
Ala -20	-	expression tag
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	104149.7
Non-Polymers*	Number of molecules	2
	Total formula weight	907.0
All*	Total formula weight	105056.8

*Water molecules are not included.