Structure of PDB 4nm5 Chain A Binding Site BS04

Receptor Information

>4nm5 Chain A (length=361) Species: 9606 (Homo sapiens)

GSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQA
KLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKK
DEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIH
SFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYR
APELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVL
GTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEY
TPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPL
ATILIPPHARH

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4nm5 Chain A Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4nm5 Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): N186 D200
• Binding residue (residue number reindexed from 1): N163 D177
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D181 K183 N186 D200 S219
• Catalytic site (residue number reindexed from 1): D158 K160 N163 D177 S196
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.
  2.7.11.26: [tau protein] kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:4nm5, PDBe:4nm5, PDBj:4nm5
• PDBsum: 4nm5
• PubMed: 24642411
• UniProt: P49841|GSK3B_HUMAN Glycogen synthase kinase-3 beta (Gene Name=GSK3B)