Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with catechol

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 25% strand (DSSP).

Ligands and binding sites

• CAQ · Catechol · ligand · 3 copies · chains A
• 6PL · (4S,7R)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide · ligand · chains A
• FE · Fe (III) ion · metal · chains A
• MG · Magnesium ion · metal · chains A
• CL · Chloride ion · ion · 3 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Compared structures

• 3HHY · Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP… · the same entry in another collection · chain A against A, TM-score 1.00
• P95607 · AlphaFold monomer V2.0 prediction for catechol 1,2-dioxygenase (P95607) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P95607
• Elsewhere: RCSB PDB 3HHY · PDBe 3HHY · UniProt P95607