CARM1 in complex with EML734

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 35% strand (DSSP).

Ligands and binding sites

• LRZ · methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate · ligand · 4 copies · chains A, B, C, D
• EDO · 1,2-ethanediol · additive · 12 copies · chains A, D, B, C
• PG4 · Tetraethylene glycol · additive · chains B, C

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

Pockets

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

Interfaces

5 interfaces between chains.

• A–B · 1932 Ų buried · 27 hydrogen bonds · protein-protein
• C–D · 1926 Ų buried · 28 hydrogen bonds · protein-protein
• B–D · 774 Ų buried · 11 hydrogen bonds · protein-protein
• B–C · 179 Ų buried · 1 hydrogen bond · protein-protein
• A–D · 166 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

• 7PV6 · CARM1 in complex with EML734 · the same entry in another collection · chain D against D, TM-score 1.00
• Q9WVG6 · AlphaFold monomer V2.0 prediction for histone-arginine methyltransferase CARM1 (Q9WVG6) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q9WVG6
• Elsewhere: RCSB PDB 7PV6 · PDBe 7PV6 · UniProt Q9WVG6