Type 1 prmt in complex with the inhibitor GSK3368715

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 37% strand (DSSP).

Ligands and binding sites

• SAH · S-adenosyl-L-homocysteine · ligand · 4 copies · chains A, D, B, C
• KZS · N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine · ligand · 4 copies · chains A, D, B, C
• GOL · Glycerol · additive · 23 copies · chains A, D, B, C
• DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains B

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Interfaces

3 interfaces between chains.

• A–D · 2505 Ų buried · 33 hydrogen bonds · protein-protein
• B–C · 2438 Ų buried · 37 hydrogen bonds · protein-protein
• A–B · 580 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

• 6NT2 · type 1 PRMT in complex with the inhibitor GSK3368715 · the same entry in another collection · chain B against B, TM-score 1.00
• Q99873 · AlphaFold monomer V2.0 prediction for protein arginine N-methyltransferase 1 (Q99873) · a predicted model of the same protein · chain B against A, TM-score 0.97

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 Q99873
• Elsewhere: RCSB PDB 6NT2 · PDBe 6NT2 · UniProt Q99873