MolNFT v1 · #169325 · protein

Crystal structure of TYK2 with compound 22

6X8G · Non-receptor tyrosine-protein kinase TYK2: “Crystal structure of TYK2 with compound 22”. X-ray diffraction, 1 ligand (UWM), 2 pockets (best druggability 0.66). MolNFT v1 #169325 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6X8G
Type: protein
Length: 282 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: UWM
Pockets: 2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2)	protein	282	42% helix, 21% strand	P29597

Ligands and binding sites

UWM · trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile · ligand · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	221	0.66	0.84	35	UWM
2	129	0.56	0.83	31	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

6X8G · Crystal structure of TYK2 with Compound 22 · the same entry in another collection · chain A against A, TM-score 1.00

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 P29597
Elsewhere: RCSB PDB 6X8G · PDBe 6X8G · UniProt P29597

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