PDBsum entry 8djc

Transferase/inhibitor

PDB id: 8djc

Contents

Protein chains

331 a.a.

Ligands

UAU ×2

Waters ×81

PDB id:

8djc

Name:

Transferase/inhibitor

Title:

Crystal structure of glycogen synthase kinase 3 beta complexed with (4s)-n-{4-[(2s)-2-methylmorpholin-4-yl] pyridin-3-yl}-2- phenylimidazo[1,2-b]pyridazine-8-carboxamide

Structure:

Glycogen synthase kinase-3 beta. Chain: a, b. Synonym: gsk-3 beta,serine/threonine-protein kinase gsk3b. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: gsk3b. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108

Resolution:

2.46Å R-factor: 0.217 R-free: 0.242

Authors:

H.A.Lewis,J.K.Muckelbauer

Key ref:

R.A.Hartz et al. Design, Structure-Activity relationships, And in vivo evaluation of potent and brain-Penetrant imidazo[1,2-B]pyridazines as glycogen synthase kinase (gsk-3 beta) inhibitors. J med chem, . PubMed id: 36950863

Date:

30-Jun-22 Release date: 22-Mar-23

Protein chains

P49841  (GSK3B_HUMAN) -  Glycogen synthase kinase-3 beta from Homo sapiens

Seq: 420 a.a.

Struc: 331 a.a.

Enzyme reactions

• Enzyme class 1: E.C.2.7.11.1 - non-specific serine/threonine protein kinase.
• Reaction:
  1. L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H⁺
  2. L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H⁺
• Enzyme class 2: E.C.2.7.11.26 - [tau protein] kinase.
• Reaction:
  1. L-seryl-[tau protein] + ATP = O-phospho-L-seryl-[tau protein] + ADP + H⁺
  2. L-threonyl-[tau protein] + ATP = O-phospho-L-threonyl-[tau protein] + ADP + H⁺

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

Molecule diagrams generated from .mol files obtained from the KEGG ftp site