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Non-phosphorylated TYK2 kinase with CMP6

Analyse Non-phosphorylated TYK2 kinase with CMP6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3NZ0
Type
protein
Length
285 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-receptor tyrosine-protein kinase TYK2
EC
2.7.10.2
UniProt
P29597
Ligands
IZA
Pockets
5 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANon-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2)protein28543% helix, 20% strandP29597

Ligands and binding sites

  • IZA · 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz[h]-imidaz[4,5-f]isoquinoline-7-one · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11890.680.8629IZA
21120.420.7721empty
3730.320.7419empty
4700.320.7520empty
5510.290.7616empty

Compared structures

  • 3NZ0 · Non-phosphorylated TYK2 kinase with CMP6 · the same entry in another collection · chain A against A, TM-score 1.00
  • P29597 · AlphaFold monomer V2.0 prediction for non-receptor tyrosine-protein kinase TYK2 (P29597) · a predicted model of the same protein · chain A against A, TM-score 0.98

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