Structure of PDB 7qux Chain A Binding Site BS03

Receptor Information
>7qux Chain A (length=330) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGK
YSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLAD
IVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHS
MGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKG
PELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVL
GTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALD
FLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain7qux Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7qux Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Resolution1.48 Å
Binding residue
(original residue number in PDB)		N161 D175
Binding residue
(residue number reindexed from 1)		N162 D176
Annotation score1
Enzymatic activity
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7qux, PDBe:7qux, PDBj:7qux
PDBsum7qux
PubMed35343996
UniProtP68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)

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