MolNFT v1 · #47398 · protein

Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors

2OXD · Casein kinase II subunit alpha: “Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors”. X-ray diffraction, 1 ligand (K32), 3 pockets (best druggability 0.67). MolNFT v1 #47398 on GenesisL1: 3D…

PDB: 2OXD
Type: protein
Length: 325 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: P28523
Ligands: K32
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Casein kinase II subunit alpha (EC 2.7.11.1)	protein	325	40% helix, 15% strand	P28523

Ligands and binding sites

K32 · 4,5,6,7-tetrabromo-1H,3H-benzimidazol-2-one · ligand · chains A

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

Pockets

3 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	299	0.67	0.82	42	K32
2	56	0.33	0.77	12	empty
3	56	0.26	0.73	15	empty

Compared structures

2OXD · Protein kinase CK2 in complex with tetrabromobenzoimidazole K17, K22 and K32 inhibitors · the same entry in another collection · chain A against A, TM-score 1.00
P28523 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P28523) · 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 P28523
Elsewhere: RCSB PDB 2OXD · PDBe 2OXD · UniProt P28523

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