Crystal structure of stachydrine demethylase with N-methyl proline from low X-ray dose composite datasets

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 24% strand (DSSP).

Ligands and binding sites

• FES · Fe2/s2 (inorganic) cluster · ligand · chains A
• 3BY · 1-methyl-L-proline · ligand · chains A
• NCO · Cobalt hexammine(iii) · ligand · chains A
• FE · Fe (III) ion · metal · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
• GOL · Glycerol · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 4QUP · Crystal structure of stachydrine demethylase with N-methyl proline from low X-ray dose… · 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 Q92ZP9
• Elsewhere: RCSB PDB 4QUP · PDBe 4QUP · UniProt Q92ZP9