Structure of PDB 5moe Chain B

Receptor sequence

>5moeB (length=323) Species: 9606 (Homo sapiens)

PVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEV
FEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKD
PVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIM
HRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELL
VDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTED
LYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDK
LLRYDHQSRLTAREAMEHPYFYT

3D structure

• PDB: 5moe A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
• Chain: B
• 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): D153 K155 N158 D172 P181 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	ADP	B	G48 S51 V53 V66 K68 V116 M163 I174 D175	G45 S48 V50 V63 K65 V113 M160 I171 D172
BS02	MG	B	F113 D175	F110 D172
BS03	MG	B	N161 D175	N158 D172
BS04	OQC	B	Q36 Y39 L41 D103 A110	Q33 Y36 L38 D100 A107	MOAD: Kd=520uM
BS05	OQC	B	Y125 P159 V162 M221 M225	Y122 P156 V159 M218 M222	MOAD: 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)