Crystal structure of recombinant wildtype cdh

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).

Ligands and binding sites

• FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
• TPP · Thiamine diphosphate · ligand · 2 copies · chains A, B
• 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · ligand · chains A
• MG · Magnesium ion · metal · 3 copies · chains A, B
• CL · Chloride ion · ion · 2 copies · chains A, B
• PG4 · Tetraethylene glycol · additive · 9 copies · chains A, B
• 2PE · Nonaethylene glycol · additive · 3 copies · chains A, B
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
• P6G · Hexaethylene glycol · additive · 2 copies · chains A
• PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 5160 Ų buried · 52 hydrogen bonds · protein-protein

Compared structures

• 4D5E · Crystal Structure of recombinant wildtype CDH · the same entry in another collection · chain A against A, TM-score 1.00
• P0CH62 · AlphaFold monomer V2.0 prediction for cyclohexane-1,2-dione hydrolase (P0CH62) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P0CH62
• Elsewhere: RCSB PDB 4D5E · PDBe 4D5E · UniProt P0CH62