Structure of PDB 6hop Chain A Binding Site BS03

Receptor Information
>6hop Chain A (length=328) 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
KLLRYDHQSRLTAREAMEHPYFYTVVKD
Ligand information
Ligand IDGJK
InChIInChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
InChIKeyAFWKBSMFXWNGRE-ONEGZZNKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)C=Cc1ccc(c(c1)OC)O
OpenEye OEToolkits 2.0.6CC(=O)/C=C/c1ccc(c(c1)OC)O
CACTVS 3.385COc1cc(C=CC(C)=O)ccc1O
CACTVS 3.385COc1cc(/C=C/C(C)=O)ccc1O
FormulaC11 H12 O3
Name(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
ChEMBLCHEMBL106509
DrugBank
ZINCZINC000000008046
PDB chain6hop Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hop Biochemical and cellular mechanism of protein kinase CK2 inhibition by deceptive curcumin.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		L45 V53 V66 K68 F113 M163 I174 D175
Binding residue
(residue number reindexed from 1)		L43 V51 V64 K66 F111 M161 I172 D173
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D156 K158 N161 D175 S194
Catalytic site (residue number reindexed from 1) D154 K156 N159 D173 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

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Molecular Function
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Biological Process
External links
PDB RCSB:6hop, PDBe:6hop, PDBj:6hop
PDBsum6hop
PubMed31661600
UniProtP68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)

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