Structure of PDB 5moe Chain A

Receptor sequence

>5moeA (length=325) Species: 9606 (Homo sapiens)

GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSE
VFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVK
DPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGI
MHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPEL
LVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTE
DLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLD
KLLRYDHQSRLTAREAMEHPYFYTV

3D structure

• PDB: 5moe A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
• Chain: A
• Resolution: 1.89 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D156 K158 N161 D175 P184 S194
• Catalytic site (residue number reindexed from 1): D154 K156 N159 D173 P182 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	ADP	A	G48 S51 V53 V66 K68 V116 M163 I174 D175	G46 S49 V51 V64 K66 V114 M161 I172 D173
BS02	MG	A	N161 D175	N159 D173
BS03	MG	A	F113 D175	F111 D173
BS04	OQC	A	W24 H183 Q186	W22 H181 Q184	MOAD: Kd=520uM PDBbind-CN: -logKd/Ki=3.28,Kd=520uM
BS05	OQC	A	P159 V162 I164 M225	P157 V160 I162 M223	MOAD: Kd=520uM PDBbind-CN: -logKd/Ki=3.28,Kd=520uM
BS06	OQC	A	Q36 Y39 D103 A110	Q34 Y37 D101 A108	MOAD: Kd=520uM PDBbind-CN: -logKd/Ki=3.28,Kd=520uM

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:5moe, PDBe:5moe, PDBj:5moe
• PDBsum: 5moe
• PubMed: 28495381
• UniProt: P68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)