Structure of PDB 5os8 Chain A

Receptor sequence

>5os8A (length=327) Species: 9606 (Homo sapiens)

GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSE
VFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVK
DPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGI
MHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPEL
LVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTE
DLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLD
KLLRYDHQSRLTAREAMEHPYFYTVVK

3D structure

• PDB: 5os8 Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
• Chain: A
• Resolution: 1.55 Å

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.

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	J27	A	P159 V162 I164 M221 L222 M225	P157 V160 I162 M219 L220 M223	PDBbind-CN: -logKd/Ki=3.98,Kd=105uM
BS02	J27	A	E52 I69 K71 P72 D103 S106	E50 I67 K69 P70 D101 S104	PDBbind-CN: -logKd/Ki=3.98,Kd=105uM
BS03	J27	A	E282 V285 Q290 V293 P295	E280 V283 Q288 V291 P293	PDBbind-CN: -logKd/Ki=3.98,Kd=105uM
BS04	ATP	A	V53 V66 V116 M163	V51 V64 V114 M161

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

External links

• PDB: RCSB:5os8, PDBe:5os8, PDBj:5os8
• PDBsum: 5os8
• PubMed: 29732088
• UniProt: P68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)