MolNFT v1 · #89867 · protein

Structure of mouse tyk-2 complexed to a 3-aminoindazole inhibitor

4E1Z · Non-receptor tyrosine-protein kinase TYK2: “Structure of mouse tyk-2 complexed to a 3-aminoindazole inhibitor”. X-ray diffraction, 1 ligand (0MX), 1 pocket (best druggability 0.77). MolNFT v1 #89867 on GenesisL1: 3D structure…

PDB: 4E1Z
Type: protein
Length: 288 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: Q9R117
Ligands: 0MX
Pockets: 1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2)	protein	288	44% helix, 20% strand	Q9R117

Ligands and binding sites

0MX · N-[5-(4-{[(3-chlorophenyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]furan-2-carboxamide · ligand · 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	662	0.77	0.82	84	0MX

Compared structures

4E1Z · Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
Q9R117 · AlphaFold monomer V2.0 prediction for non-receptor tyrosine-protein kinase TYK2 (Q9R117) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q9R117
Elsewhere: RCSB PDB 4E1Z · PDBe 4E1Z · UniProt Q9R117

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