Potassium in PDB 8b7r: Bacterial Chalcone Isomerase with Taxifolin Chalcone

All present enzymatic activity of Bacterial Chalcone Isomerase with Taxifolin Chalcone:
5.5.1.6;

The structure of Bacterial Chalcone Isomerase with Taxifolin Chalcone, PDB code: 8b7r was solved by W.Hinrichs, G.J.Palm, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.29 / 2.15
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	173.823, 193.154, 205.288, 90, 90, 90
R / Rfree (%)	16.3 / 19

The structure of Bacterial Chalcone Isomerase with Taxifolin Chalcone also contains other interesting chemical elements:

Chlorine

(Cl)

26 atoms

The binding sites of Potassium atom in the Bacterial Chalcone Isomerase with Taxifolin Chalcone (pdb code 8b7r). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Bacterial Chalcone Isomerase with Taxifolin Chalcone, PDB code: 8b7r:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Bacterial Chalcone Isomerase with Taxifolin Chalcone


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Bacterial Chalcone Isomerase with Taxifolin Chalcone within 5.0Å range: probe atom residue distance (Å) B Occ A:K306 b:77.0 occ:1.00 O A:LEU238 2.9 53.8 1.0 O A:HOH552 3.2 45.2 1.0 O A:LYS236 3.3 49.9 1.0 C A:LYS236 4.0 49.1 1.0 C A:LEU238 4.1 53.5 1.0 CZ A:PHE251 4.2 45.5 1.0 CA A:LYS236 4.2 46.9 1.0 O A:MET235 4.3 39.9 1.0 CE1 A:PHE251 4.4 45.8 1.0 O A:ASP247 4.4 50.3 1.0 N A:LEU238 4.7 49.3 1.0 N A:LYS240 4.9 48.8 1.0 CA A:LEU238 4.9 50.3 1.0 CA A:GLU239 5.0 59.4 1.0 CB A:LEU238 5.0 49.4 1.0

Potassium binding site 2 out of 3 in the Bacterial Chalcone Isomerase with Taxifolin Chalcone


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Bacterial Chalcone Isomerase with Taxifolin Chalcone within 5.0Å range: probe atom residue distance (Å) B Occ C:K306 b:80.2 occ:1.00 O C:HOH519 3.3 40.0 1.0 O C:LEU238 3.3 46.8 1.0 O C:LYS236 3.4 50.5 1.0 C C:LYS236 4.1 46.0 1.0 CA C:LYS236 4.2 44.2 1.0 O C:ASP247 4.2 44.7 1.0 CZ C:PHE251 4.3 44.9 1.0 CE1 C:PHE251 4.4 44.8 1.0 O C:MET235 4.5 40.5 1.0 C C:LEU238 4.5 49.0 1.0 CA C:ALA248 4.8 44.3 1.0

Potassium binding site 3 out of 3 in the Bacterial Chalcone Isomerase with Taxifolin Chalcone


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Bacterial Chalcone Isomerase with Taxifolin Chalcone within 5.0Å range: probe atom residue distance (Å) B Occ E:K305 b:83.5 occ:1.00 O E:LEU238 3.2 53.9 1.0 O E:LYS236 3.2 54.5 1.0 O E:HOH559 3.5 47.4 1.0 C E:LYS236 3.9 51.8 1.0 CA E:LYS236 4.1 51.6 1.0 C E:LEU238 4.4 53.2 1.0 CZ E:PHE251 4.4 50.6 1.0 O E:MET235 4.4 47.5 1.0 O E:ASP247 4.4 54.8 1.0 CE1 E:PHE251 4.5 49.3 1.0 N E:LEU238 4.8 50.8 1.0 CB E:LYS236 4.9 54.6 1.0

G.J.Palm, M.Thomsen, L.Berndt, W.Hinrichs. Structural Basis For (2 R ,3 R )-Taxifolin Binding and Reaction Products to the Bacterial Chalcone Isomerase of Eubacterium Ramulus . Molecules V. 27 2022.
ISSN: ESSN 1420-3049
PubMed: 36432010
DOI: 10.3390/MOLECULES27227909