5T31

Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia

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	420	46895.2	2	UniProt (P49841) Pfam (PF00069) In PDB	Homo sapiens (Human)	GSK-3 beta,Serine/threonine-protein kinase GSK3B
2	A, B	(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one	non-polymer		321.4	2	Chemie (6VL)

Sequence modifications

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

PDB	External Database	Details
Glu 133	Asp 133	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	93790.4
Non-Polymers*	Number of molecules	2
	Total formula weight	642.8
All*	Total formula weight	94433.3

*Water molecules are not included.