Structure of PDB 5orj Chain B

Receptor sequence
>5orjB (length=324) Species: 9606 (Homo sapiens) [Search protein sequence]
PVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEV
FEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKD
PVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIM
HRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELL
VDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTED
LYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDK
LLRYDHQSRLTAREAMEHPYFYTV
3D structure
PDB5orj Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
ChainB
Resolution1.99 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D156 K158 N161 D175 S194
Catalytic site (residue number reindexed from 1) D153 K155 N158 D172 S191
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 MG B N161 D175 N158 D172
BS02 MG B F113 D175 F110 D172
BS03 ADP B G48 S51 V53 V66 K68 V116 M163 I174 D175 G45 S48 V50 V63 K65 V113 M160 I171 D172
BS04 A4Q B F121 P159 V162 M221 M225 F118 P156 V159 M218 M222 PDBbind-CN: -logKd/Ki=4.77,Kd=17uM
BindingDB: IC50=160000nM
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:5orj, PDBe:5orj, PDBj:5orj
PDBsum5orj
PubMed29732088
UniProtP68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)

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