Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal structure of human PARP14 macrodomain 3 in complex with FMOPL000633A

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).

Ligands and binding sites

• GV4 · 2-cyano-~{N}-(1,3,5-trimethylpyrazol-4-yl)ethanamide · ligand · chains A
• CL · Chloride ion · ion · 2 copies · chains A
• DMS · Dimethyl sulfoxide · additive · 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.

Compared structures

• 5QI5 · PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)… · the same entry in another collection · chain A against A, TM-score 1.00
• Q460N5 · AlphaFold monomer V2.0 prediction for protein mono-ADP- ribosyltransferase PARP14 (Q460N5) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q460N5
• Elsewhere: RCSB PDB 5QI5 · PDBe 5QI5 · UniProt Q460N5