Structure of PDB 6yzh Chain A Binding Site BS02

Receptor Information

>6yzh Chain A (length=344) Species: 9606 (Homo sapiens)

GGRLVPRFGEGEGSEGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQD
DYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILEN
LRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYM
YEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQE
YNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHD
NYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHS
ENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKEN

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: 6yzh Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6yzh Development of small cyclic peptides targeting the CK2 alpha / beta interface.
• Resolution: 1.19 Å
• Binding residue (original residue number in PDB): N161 D175
• Binding residue (residue number reindexed from 1): N174 D188
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D156 K158 N161 D175 S194
• Catalytic site (residue number reindexed from 1): D169 K171 N174 D188 S207
• 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:6yzh, PDBe:6yzh, PDBj:6yzh
• PDBsum: 6yzh
• PubMed: 35343996
• UniProt: P68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)