Structure of PDB 1gng Chain B Binding Site BS03

Receptor Information

>1gng Chain B (length=356) Species: 9606 (Homo sapiens)

VSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCD
SGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVY
LNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGI
CHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPEL
IFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPT
REQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTA
RLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATIL
IPPHAR

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 1gng Chain B Residue 1384

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gng The Structure of Phosphorylated Gsk-3Beta Complexed with a Peptide, Frattide, that Inhibits Beta-Catenin Phosphorylation
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): R96 R180 K205 N213 V214
• Binding residue (residue number reindexed from 1): R69 R153 K178 N186 V187
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D181 K183 N186 D200 S219
• Catalytic site (residue number reindexed from 1): D154 K156 N159 D173 S192
• 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:1gng, PDBe:1gng, PDBj:1gng
• PDBsum: 1gng
• PubMed: 11738041
• UniProt: P49841|GSK3B_HUMAN Glycogen synthase kinase-3 beta (Gene Name=GSK3B)