MolNFT v1 · #129753 · protein

The crystal structure of CK2ALPHA in complex with compound 33

5OTQ · Casein kinase II subunit alpha: “The crystal structure of CK2ALPHA in complex with compound 33”. X-ray diffraction, 1 ligand (AUH), 2 pockets (best druggability 0.79). MolNFT v1 #129753 on GenesisL1: 3D structure, binding sites and…

PDB: 5OTQ
Type: protein
Length: 327 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Casein kinase II subunit alpha
EC: 2.7.11.1
UniProt: P68400
Ligands: AUH
Pockets: 2 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Casein kinase II subunit alpha (EC 2.7.11.1)	protein	327	40% helix, 16% strand	P68400

Ligands and binding sites

AUH · 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine · ligand · 2 copies · chains A
ACT · Acetate ion · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	551	0.79	0.85	66	ACT, AUH
2	66	0.38	0.78	17	AUH

Compared structures

P68400 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P68400) · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P68400
Elsewhere: RCSB PDB 5OTQ · PDBe 5OTQ · UniProt P68400

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