Research workbench

Design and synthesis of a pan-JAK kinase inhibitor clinical candidate (pf-06263276) suitable for inhaled and topical delivery for the treatment of inflammatory diseases of the lungs and skin

Analyse Design and synthesis of a pan-JAK kinase inhibitor clinical candidate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5TQ4
Type: protein
Length: 292 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein kinase JAK2
EC: 2.7.10.2
UniProt: O60674
Ligands: 7GY
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase JAK2 (EC 2.7.10.2)	protein	292	45% helix, 18% strand	O60674

Ligands and binding sites

7GY · 6-(2-ethyl-4-hydroxyphenyl)-1H-indazole-3-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	797	0.74	0.79	60	7GY

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

5TQ4 · Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276)… · 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 O60674
Elsewhere: RCSB PDB 5TQ4 · PDBe 5TQ4 · UniProt O60674

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