Structure of the rieske non-heme iron oxygenase sxtt with dideoxysaxitoxin bound

Structure

x-ray diffraction · 3 distinct chains · 20% helix, 34% strand (DSSP).

Ligands and binding sites

• FES · Fe2/s2 (inorganic) cluster · ligand · 3 copies · chains A, B, C
• U5A · [(2Z,3aS,4R,6Z,10aR)-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate · ligand · 3 copies · chains A, B, C
• FE · Fe (III) ion · metal · 3 copies · chains A, B, C
• SO4 · Sulfate ion · ion · 13 copies · chains A, B, C
• GOL · Glycerol · additive · 7 copies · chains A, B, C

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

Pockets

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

Interfaces

3 interfaces between chains.

• B–C · 1162 Ų buried · 23 hydrogen bonds · protein-protein
• A–C · 1144 Ų buried · 20 hydrogen bonds · protein-protein
• A–B · 1111 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

• 6WNB · Structure of the Rieske non-heme iron oxygenase SxtT with dideoxysaxitoxin bound · 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 C3RVQ0
• Elsewhere: RCSB PDB 6WNB · PDBe 6WNB · UniProt C3RVQ0