Crystal structure of catechol 1,2-dioxygenase from the gram-positive rhodococcus opacus 1CP

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 24% strand (DSSP).

Ligands and binding sites

• 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
• BEZ · Benzoic acid · ligand · chains A
• FE · Fe (III) ion · metal · chains A
• CO3 · Carbonate ion · ion · 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, 1 with a druggability of 0.5 or more.

Compared structures

• 3HGI · Crystal structure of Catechol 1,2-Dioxygenase from the gram-positive Rhodococcus opacus… · 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 3HGI · PDBe 3HGI · UniProt P95607