MolNFT v1 · #159611 · protein

Crystal structure of TYK2 with novel pyrrolidinone inhibitor

6OVA · Non-receptor tyrosine-protein kinase TYK2: “Crystal structure of TYK2 with novel pyrrolidinone inhibitor”. X-ray diffraction, 1 ligand (N9G), 4 pockets (best druggability 0.67). MolNFT v1 #159611 on GenesisL1: 3D structure, binding…

PDB: 6OVA
Type: protein
Length: 273 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: N9G
Pockets: 4 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2)	protein	273	41% helix, 21% strand	P29597

Ligands and binding sites

N9G · 6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide · ligand · chains A

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

Pockets

4 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	189	0.67	0.86	30	N9G
2	93	0.44	0.79	16	empty
3	92	0.37	0.76	24	empty
4	59	0.28	0.73	16	empty

Compared structures

6OVA · Crystal Structure of TYK2 with novel pyrrolidi inhibitor · 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 6OVA · PDBe 6OVA · UniProt P29597

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.