MolNFT v1 · #114065 · protein

Crystal structure of the CK2A/BENZOIC acid derivative complex

5B0X · Casein kinase II subunit alpha: “Crystal structure of the CK2A/BENZOIC acid derivative complex”. X-ray diffraction, 1 ligand (HCK), 4 pockets (best druggability 0.66). MolNFT v1 #114065 on GenesisL1: 3D structure, binding sites and…

PDB: 5B0X
Type: protein
Length: 329 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: HCK
Pockets: 4 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Casein kinase II subunit alpha (EC 2.7.11.1)	protein	329	41% helix, 15% strand	P68400

Ligands and binding sites

HCK · 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid · ligand · chains A

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

Pockets

4 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	406	0.66	0.79	47	HCK
2	104	0.44	0.78	18	empty
3	53	0.35	0.79	13	empty
4	63	0.33	0.76	13	empty

Compared structures

5B0X · Crystal structure of the CK2a/benzoic acid derivative complex · 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 5B0X · PDBe 5B0X · UniProt P68400

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