Structure of PDB 4gue Chain A Binding Site BS02

Receptor Information

>4gue Chain A (length=286) Species: 10090 (Mus musculus)

KEIAITHHVKEGHEKADPSQFELLKVLGQGSFGKVFLVKKISGSDARQLY
AMKVLKKATLKVRDRVLVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDL
FTRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEG
HIKLTDFGLSKEKKAYSFCGTVEYMAPEVVNRRGHTQSADWWSFGVLMFE
MLTGTLPFQGKDRKETMTMILKAKLGMPQFLSPEAQSLLRMLFKRNPANR
LGAGPDGVEEIKRHSFFSTIDWNKLYRREIHPPFKP

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: 4gue Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gue Identification of quercitrin as an inhibitor of the p90 S6 ribosomal kinase (RSK): structure of its complex with the N-terminal domain of RSK2 at 1.8 A resolution.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): K62 Y135 A136
• Binding residue (residue number reindexed from 1): K15 Y80 A81
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D193 K195 E197 N198 D211 T231
• Catalytic site (residue number reindexed from 1): D138 K140 E142 N143 D156 T171
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004674 protein serine/threonine kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:4gue, PDBe:4gue, PDBj:4gue
• PDBsum: 4gue
• PubMed: 23385462
• UniProt: P18654|KS6A3_MOUSE Ribosomal protein S6 kinase alpha-3 (Gene Name=Rps6ka3)