MolNFT v1 · #115789 · protein

Crystal structure of CK2ALPHA with compound 10 bound

5CU4 · Casein kinase II subunit alpha: “Crystal structure of CK2ALPHA with compound 10 bound”. X-ray diffraction, 1 ligand (54S), 2 pockets (best druggability 0.76). MolNFT v1 #115789 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 5CU4
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: 54S
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Casein kinase II subunit alpha (EC 2.7.11.1)	protein	327	43% helix, 15% strand	P68400

Ligands and binding sites

54S · N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide · ligand · chains A
ACT · Acetate ion · additive · 3 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	558	0.76	0.83	59	54S
2	61	0.34	0.77	14	empty

Compared structures

5CU4 · Crystal structure of CK2alpha bound to CAM4066 · the same entry in another collection · chain A against A, TM-score 1.00
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 0.99

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 5CU4 · PDBe 5CU4 · UniProt P68400

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.