Crystal structure of human protein arginine methyltransferase PRMT6 bound to sah and EPZ020411

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 35% strand (DSSP).

Ligands and binding sites

• SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
• 49L · N,N'-dimethyl-N-({3-[4-({trans-3-[2-(tetrahydro-2H-pyran-4-yl)ethoxy]cyclobutyl}oxy)phenyl]-1H-pyrazol-4-yl}methyl)ethane-1,2-diamine · ligand · 2 copies · chains A, B
• MG · Magnesium ion · metal · chains A
• GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1803 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

• 4Y30 · Crystal structure of human protein arginine methyltransferase PRMT6 bound to SAH and… · the same entry in another collection · chain A against A, TM-score 1.00
• Q96LA8 · AlphaFold monomer V2.0 prediction for protein arginine N-methyltransferase 6 (Q96LA8) · a predicted model of the same protein · chain B against A, 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 Q96LA8
• Elsewhere: RCSB PDB 4Y30 · PDBe 4Y30 · UniProt Q96LA8