Structure of PDB 5cu2 Chain A

Receptor sequence

>5cu2A (length=328) Species: 9606 (Homo sapiens)

SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYS
EVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIV
KDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMG
IMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPE
LLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGT
EDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFL
DKLLRYDHQSRLTAREAMEHPYFYTVVK

3D structure

• PDB: 5cu2 A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
• Chain: A
• Resolution: 1.705 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D156 K158 N161 D175 P184 S194
• Catalytic site (residue number reindexed from 1): D155 K157 N160 D174 P183 S193
• 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	551	A	L45 G46 F121 I133 Y136 I140 P159 H160 V162 I164 M221 M225	L44 G45 F120 I132 Y135 I139 P158 H159 V161 I163 M220 M224
BS02	551	A	Q36 D37 Y39 I69 D103 T108	Q35 D36 Y38 I68 D102 T107
BS03	551	A	W24 H183 Q186	W23 H182 Q185
BS04	54G	A	V53 V66 K68 F113 M163 I174 D175	V52 V65 K67 F112 M162 I173 D174	PDBbind-CN: -logKd/Ki=4.24,Kd=58uM BindingDB: Kd=58000nM

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:5cu2, PDBe:5cu2, PDBj:5cu2
• PDBsum: 5cu2
• PubMed: 28495381
• UniProt: P68400|CSK21_HUMAN Casein kinase II subunit alpha (Gene Name=CSNK2A1)