Crystal structure of inhibitor jnj-36811054 in complex with prefusion rsv F glycoprotein

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 35% strand (DSSP).

Ligands and binding sites

• R0J · 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one · ligand · chains F
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains F
• FUC · alpha-L-fucopyranose · sugar · chains F
• SO4 · Sulfate ion · ion · 6 copies · chains F
• CL · Chloride ion · ion · chains F
• TAR · D(-)-tartaric acid · additive · chains F

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 7 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

• 6VKC · Crystal Structure of Inhibitor JNJ-36811054 in Complex with Prefusion RSV F Glycoprotein · the same entry in another collection · chain F against F, 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 Q84850
• Every structure of UniProt M1E1E4
• Elsewhere: RCSB PDB 6VKC · PDBe 6VKC · UniProt Q84850 · UniProt M1E1E4