Crystal structure of DOT1L in complex with 5-iodotubercidin

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 15% strand (DSSP).

Ligands and binding sites

• 5ID · (2R,3R,4S,5R)-2-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3, 4-diol · ligand · chains A
• NA · Sodium ion · metal · chains A
• UNX · Unknown atom or ion · ion · 6 copies · chains A
• IOD · Iodide ion · ion · 2 copies · 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

• 3UWP · Crystal structure of Dot1l in complex with 5-iodotubercidin · the same entry in another collection · chain A against A, TM-score 1.00
• Q8TEK3 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase, H3 lysine-79… · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q8TEK3
• Elsewhere: RCSB PDB 3UWP · PDBe 3UWP · UniProt Q8TEK3