Pandda analysis group deposition -- partial occupancy interpretation of pandda event MAP: SETDB1 in complex with FMOPL000074A

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 47% strand (DSSP).

Ligands and binding sites

• AW7 · 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine · ligand · 2 copies · chains A
• UNX · Unknown atom or ion · ion · 36 copies · chains A
• SO4 · Sulfate ion · ion · 2 copies · chains A
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · 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

• 5QT2 · PanDDA analysis group deposition -- Partial occupancy interpretation of PanDDA event map… · the same entry in another collection · chain A against A, TM-score 1.00
• Q15047 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SETDB1 (Q15047) · 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 Q15047
• Elsewhere: RCSB PDB 5QT2 · PDBe 5QT2 · UniProt Q15047