Structure of PDB 7zyd Chain A Binding Site BS02

Receptor Information
>7zyd 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 IDKD6
InChIInChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChIKeySMZUROGBNBCCPT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1cc2[nH]ccc2cc1Br
OpenEye OEToolkits 2.0.7c1c[nH]c2c1cc(c(c2)Cl)Br
FormulaC8 H5 Br Cl N
Name5-bromanyl-6-chloranyl-1~{H}-indole
ChEMBLCHEMBL5202453
DrugBank
ZINCZINC000034291469
PDB chain7zyd Chain A Residue 404 [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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PDB7zyd A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Resolution1.404 Å
Binding residue
(original residue number in PDB)		F121 Y136 P159 V162 I164 M221
Binding residue
(residue number reindexed from 1)		F119 Y134 P157 V160 I162 M219
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:7zyd, PDBe:7zyd, PDBj:7zyd
PDBsum7zyd
PubMed36426237
UniProtP68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)

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