Structure of PDB 7zy2 Chain A Binding Site BS03

Receptor Information
>7zy2 Chain A (length=327) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSE
VFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVK
DPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGI
MHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPEL
LVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTE
DLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLD
KLLRYDHQSRLTAREAMEHPYFYTVVK
Ligand information
Ligand IDH4N
InChIInChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKeyVXWVFZFZYXOBTA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc[nH]2)cc1Br
CACTVS 3.385Brc1ccc2[nH]ccc2c1
FormulaC8 H6 Br N
Name5-bromanyl-1~{H}-indole
ChEMBLCHEMBL325917
DrugBank
ZINCZINC000000081120
PDB chain7zy2 Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7zy2 A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Resolution1.51 Å
Binding residue
(original residue number in PDB)		Y125 P159 M221 M225 E230
Binding residue
(residue number reindexed from 1)		Y123 P157 M219 M223 E228
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7zy2, PDBe:7zy2, PDBj:7zy2
PDBsum7zy2
PubMed36426237
UniProtP68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)

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