MolNFT v1 · #189021 · protein

Crystal structure of TYK2 kinase domain in complex with compound 30

7UYU · Non-receptor tyrosine-protein kinase TYK2: “Crystal structure of TYK2 kinase domain in complex with compound 30”. X-ray diffraction, 2 ligands (OV0, SO4), 1 pocket (best druggability 0.65). MolNFT v1 #189021 on GenesisL1: 3D…

PDB: 7UYU
Type: protein
Length: 269 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: OV0, SO4
Pockets: 1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2)	protein	269	45% helix, 21% strand	P29597

Ligands and binding sites

OV0 · 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl) anilino]-5H-pyrrolo[3,4-b]pyridin-5-one · ligand · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	242	0.65	0.83	30	OV0

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

7UYU · Crystal structure of TYK2 kinase domain in complex with compound 30 · 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 7UYU · PDBe 7UYU · UniProt P29597

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