Brand  (β version)

PDB ID: 6H0U

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Ligands
Code Name Style Show Link
CL Chloride ion PoSSuM
FKB (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide PoSSuM
GOL Glycerol PoSSuM
MLI Malonate ion PoSSuM
NA Sodium ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 6H0U   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor
Release Data : 2019-05-15
Compound :
mol_id molecule chains synonym
1 Glycogen synthase kinase-3 beta A,B GSK-3 beta,Serine/threonine-protein kinase GSK3B
ec: 2.7.11.26,2.7.11.1
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Trichoplusia ni  (taxid:7111)
gene: GSK3B
expression_system_common: Cabbage looper
Authors : Marcovich, I., Demitri, N., De Zorzi, R., Storici, P.
Keywords : Protein Kinase, GSK3beta-Covalent Inhibitor Complex, Parkinson Disease, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 2.30 Å )
Citation :

A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition.

Redenti, S.,Marcovich, I.,De Vita, T.  et al.
(2019)  Chemmedchem  14 : 310 - 314

PubMed: 30548443
DOI: 10.1002/cmdc.201800778

Reaction

Chain : A, B
UniProt : P49841 (GSK3B_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-seryl-[tau protein] + ATP = O-phospho-L-seryl-[tau protein] + ADP + H(+) 2.7.11.26 PubMed:14690523
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L-threonyl-[tau protein] + ATP = O-phospho-L-threonyl-[tau protein] + ADP + H(+) 2.7.11.26 PubMed:14690523
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L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.1 PubMed:17050006, PubMed:21343617, PubMed:22539723, PubMed:25827072, PubMed:28992046, PubMed:29059170
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H(+) 2.7.11.1 PubMed:17050006
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