Crystal structure of the human METTL3-METTL14 complex bound to compound 5 (ASI_M3M_051)

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 26% strand (DSSP).

Ligands and binding sites

• NX8 · (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide · ligand · chains A
• ACT · Acetate ion · additive · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1973 Ų buried · 37 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 6TTX · Crystal structure of the human METTL3-METTL14 complex bound to Compound 5 (ASI_M3M_051) · the same entry in another collection · chain A against A, TM-score 1.00
• Q86U44 · AlphaFold monomer V2.0 prediction for N6-adenosine-methyltransferase catalytic subunit… · a predicted model of the same protein · chain A against A, TM-score 0.99
• Q9HCE5 · AlphaFold monomer V2.0 prediction for N6-adenosine-methyltransferase non-catalytic… · 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 Q86U44
• Every structure of UniProt Q9HCE5
• Elsewhere: RCSB PDB 6TTX · PDBe 6TTX · UniProt Q86U44 · UniProt Q9HCE5