Structure of PDB 5y9m Chain A Binding Site BS01

Receptor Information
>5y9m Chain A (length=320) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGYSEVFEAIN
ITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKT
PALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVK
PHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQM
YDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYL
KKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYD
HQQRLTAKEAMEHPYFYPVV
Ligand information
Ligand IDNIO
InChIInChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKeyPVNIIMVLHYAWGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1cccnc1
OpenEye OEToolkits 1.5.0c1cc(cnc1)C(=O)O
CACTVS 3.341OC(=O)c1cccnc1
FormulaC6 H5 N O2
NameNICOTINIC ACID
ChEMBLCHEMBL573
DrugBankDB00627
ZINCZINC000000001795
PDB chain5y9m Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5y9m Crystal structures of human CK2 alpha 2 in new crystal forms arising from a subtle difference in salt concentration
Resolution2.006 Å
Binding residue
(original residue number in PDB)		L46 K69 F114 D176
Binding residue
(residue number reindexed from 1)		L40 K60 F105 D167
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D157 K159 N162 D176 S195
Catalytic site (residue number reindexed from 1) D148 K150 N153 D167 S186
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:0005515 protein binding
GO:0005524 ATP binding
GO:0044024 histone H2AS1 kinase activity
GO:0106310 protein serine kinase activity
Biological Process
GO:0006302 double-strand break repair
GO:0006338 chromatin remodeling
GO:0006468 protein phosphorylation
GO:0006915 apoptotic process
GO:0007283 spermatogenesis
GO:0016055 Wnt signaling pathway
GO:0016310 phosphorylation
GO:0021987 cerebral cortex development
GO:0032435 negative regulation of proteasomal ubiquitin-dependent protein catabolic process
GO:0051726 regulation of cell cycle
GO:0097421 liver regeneration
GO:1901524 regulation of mitophagy
GO:1903955 positive regulation of protein targeting to mitochondrion
GO:1905818 regulation of chromosome separation
GO:2001234 negative regulation of apoptotic signaling pathway
Cellular Component
GO:0000785 chromatin
GO:0001669 acrosomal vesicle
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005956 protein kinase CK2 complex
GO:0031519 PcG protein complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5y9m, PDBe:5y9m, PDBj:5y9m
PDBsum5y9m
PubMed29717996
UniProtP19784|CSK22_HUMAN Casein kinase II subunit alpha' (Gene Name=CSNK2A2)

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