Crystal structure of chorismate mutase like domain of bifunctional dahp synthase of bacillus subtilis in complex with chlorogenic acid

Structure

x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).

Ligands and binding sites

• 7LH · (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 2358 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

• 5GMU · Crystal structure of chorismate mutase like domain of bifunctional DAHP synthase of… · the same entry in another collection · chain A against A, TM-score 1.00
• P39912 · AlphaFold monomer V2.0 prediction for protein AROA(G) (P39912) · a predicted model of the same protein · chain B against A, TM-score 0.97

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 P39912
• Elsewhere: RCSB PDB 5GMU · PDBe 5GMU · UniProt P39912