MolNFT v1 · #165161 · protein

Human CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 4,6-dibromobenzotriazole

6TLS · Casein kinase II subunit alpha: “Human CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 4,6-dibromobenzotriazole”. X-ray diffraction, 3 ligands (NL2, NA, CL), 2 pockets (best druggability 0.71). MolNFT v1…

PDB: 6TLS
Type: protein
Length: 333 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: NL2, NA, CL
Pockets: 2 · best druggability 0.71

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	333	40% helix, 16% strand	P68400

Ligands and binding sites

NL2 · 5,7-bis(bromanyl)-1~{H}-benzotriazole · ligand · 2 copies · chains A
NA · Sodium ion · metal · chains A
CL · Chloride ion · ion · 5 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · 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	267	0.71	0.85	38	NL2
2	53	0.34	0.78	15	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

6TLS · Human CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor… · 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 6TLS · PDBe 6TLS · UniProt P68400

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