Structure of PDB 3q9z Chain B Binding Site BS01

Receptor Information
>3q9z Chain B (length=332) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYS
EVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIV
KDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMG
IMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPE
LLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGT
EDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFL
DKLLRYDHQSRLTAREAMEHPYFYTVVKDQAR
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 chain3q9z Chain B Residue 340 [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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PDB3q9z Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R47 V53 V66 K68 F113 N118 M163 I174 D175
Binding residue
(residue number reindexed from 1)		R46 V52 V65 K67 F112 N117 M162 I173 D174
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) D155 K157 N160 D174 P183 S193
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:3q9z, PDBe:3q9z, PDBj:3q9z
PDBsum3q9z
PubMed
UniProtP68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)

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