Crystal structure of the plantazolicin methyltransferase baml in complex with triazolic desmethylpzn analog and sah

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 19% strand (DSSP).

Ligands and binding sites

• SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
• 5D8 · ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 2 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 · 660 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

• 5DM0 · Crystal structure of the plantazolicin methyltransferase BamL in complex with triazolic… · the same entry in another collection · 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 A7Z2A9
• Elsewhere: RCSB PDB 5DM0 · PDBe 5DM0 · UniProt A7Z2A9