Human POLY(ADP-ribose) polymerase 12, catalytic fragment with four point mutations in complex with rbn-2397

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 31% strand (DSSP).

Ligands and binding sites

• QO4 · 5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one · ligand · chains A
• CL · Chloride ion · ion · chains A

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

Pockets

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

Compared structures

• 6V3W · Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment with four point mutations in… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9H0J9 · AlphaFold monomer V2.0 prediction for protein mono-ADP- ribosyltransferase PARP12 (Q9H0J9) · 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 Q9H0J9
• Elsewhere: RCSB PDB 6V3W · PDBe 6V3W · UniProt Q9H0J9