PDBsum entry 4j71

Transferase/transferase inhibitor

PDB id: 4j71

Contents

Protein chain

348 a.a.

Ligands

1JX ×2

SO4 ×3

Metals

_CL

Waters ×207

PDB id:

4j71

Name:

Transferase/transferase inhibitor

Title:

Crystal structure of gsk3b in complex with inhibitor 1r

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: trichoplusia ni. Expression_system_taxid: 7111. Expression_system_cell_line: high five.

Resolution:

2.31Å R-factor: 0.191 R-free: 0.234

Authors:

C.Zhan,Y.Wang,J.Wach,P.Sheehan,C.Zhong,R.Harris,Y.Patskovsky, J.Bishop,S.Haggarty,A.Ramek,K.Berry,C.O'Herin,A.N.Koehler,A.W.Hung, D.W.Young,S.C.Almo,New York Structural Genomics Research Consortium (Nysgrc)

Key ref:

Y.Wang et al. Fragment-Based approach using diversity-Oriented synt yields a gsk3b inhibitor. To be published, .

Date:

12-Feb-13 Release date: 20-Mar-13

Protein chains

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

Seq: 420 a.a.

Struc: 348 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