Structure of PDB 3q9y Chain A Binding Site BS01

Receptor Information
>3q9y 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]
GPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSE
VFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVK
DPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGI
MHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPEL
LVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTE
DLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLD
KLLRYDHQSRLTAREAMEHPYFYTVVK
Ligand information
Ligand IDTXQ
InChIInChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
InChIKeyVBHKTXLEJZIDJF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O
OpenEye OEToolkits 1.5.0c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O
CACTVS 3.341Oc1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O
FormulaC14 H8 O6
Name1,2,5,8-tetrahydroxyanthracene-9,10-dione;
1,2,5,8-tetrahydroxy-anthraquinone
ChEMBLCHEMBL29898
DrugBankDB08660
ZINCZINC000003874832
PDB chain3q9y Chain A Residue 337 [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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PDB3q9y Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
Resolution1.8 Å
Binding residue
(original residue number in PDB)		V53 V66 K68 F113 I174 D175
Binding residue
(residue number reindexed from 1)		V51 V64 K66 F111 I172 D173
Annotation score1
Binding affinityBindingDB: Ki=60nM
Enzymatic activity
Catalytic site (original residue number in PDB) D156 K158 N161 D175 P184 S194
Catalytic site (residue number reindexed from 1) D154 K156 N159 D173 P182 S192
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
View graph for
Biological Process
External links
PDB RCSB:3q9y, PDBe:3q9y, PDBj:3q9y
PDBsum3q9y
PubMed
UniProtP68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)

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