Mycf mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with mg, sah and mycinamicin VI (myce substrate)

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

Ligands and binding sites

• SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
• MVI · Mycinamicin VI · ligand · 2 copies · chains A, B
• MG · Magnesium ion · metal · 2 copies · chains A, B
• DMS · Dimethyl sulfoxide · additive · 4 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1081 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

• 4X81 · MycF mycinamicin III 3'-O-methyltransferase (E35Q, M56A, E139A variant) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• Q49492 · AlphaFold monomer V2.0 prediction for mycinamicin III 3''-O-methyltransferase (Q49492) · a predicted model of the same protein · chain A 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 Q49492
• Elsewhere: RCSB PDB 4X81 · PDBe 4X81 · UniProt Q49492