Potassium in PDB 8b7u: Bacterial Chalcone Isomerase H33A with Taxifolin

Enzymatic activity of Bacterial Chalcone Isomerase H33A with Taxifolin

All present enzymatic activity of Bacterial Chalcone Isomerase H33A with Taxifolin:
5.5.1.6;

Protein crystallography data

The structure of Bacterial Chalcone Isomerase H33A with Taxifolin, PDB code: 8b7u 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) 49.42 / 2.80
Space group I 21 21 21 1
Cell size a, b, c (Å), α, β, γ (°) 187.582, 203.736, 560.388, 90, 90, 90
R / Rfree (%) 21.3 / 22.5

Other elements in 8b7u:

The structure of Bacterial Chalcone Isomerase H33A with Taxifolin also contains other interesting chemical elements:

Chlorine (Cl) 47 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Bacterial Chalcone Isomerase H33A with Taxifolin (pdb code 8b7u). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the Bacterial Chalcone Isomerase H33A with Taxifolin, PDB code: 8b7u:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6;

Potassium binding site 1 out of 6 in 8b7u

Go back to Potassium Binding Sites List in 8b7u
Potassium binding site 1 out of 6 in the Bacterial Chalcone Isomerase H33A with Taxifolin


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 H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1006

b:65.3
occ:1.00
 O B:LYS236 3.1 51.1 1.0
O B:LEU238 3.2 54.8 1.0
C B:LYS236 3.9 50.7 1.0
CA B:LYS236 4.0 51.3 1.0
O B:MET235 4.2 48.9 1.0
CZ B:PHE251 4.2 50.8 1.0
O B:ASP247 4.3 55.6 1.0
C B:LEU238 4.4 54.2 1.0
CE1 B:PHE251 4.4 52.1 1.0
N B:LEU238 4.7 50.3 1.0
CB B:LYS236 4.9 54.6 1.0
CA B:LEU238 5.0 51.3 1.0

Potassium binding site 2 out of 6 in 8b7u

Go back to Potassium Binding Sites List in 8b7u
Potassium binding site 2 out of 6 in the Bacterial Chalcone Isomerase H33A with Taxifolin


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 H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1008

b:65.8
occ:1.00
 O C:LYS236 3.1 51.1 1.0
O C:LEU238 3.5 51.6 1.0
C C:LYS236 4.0 50.6 1.0
CA C:LYS236 4.1 49.3 1.0
O C:ASP247 4.3 58.5 1.0
O C:MET235 4.6 47.9 1.0
CZ C:PHE251 4.6 55.1 1.0
C C:LEU238 4.7 53.3 1.0
CE1 C:PHE251 4.7 55.6 1.0
CB C:LYS236 4.9 49.6 1.0

Potassium binding site 3 out of 6 in 8b7u

Go back to Potassium Binding Sites List in 8b7u
Potassium binding site 3 out of 6 in the Bacterial Chalcone Isomerase H33A with Taxifolin


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 H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1006

b:62.4
occ:1.00
 O D:LYS236 3.2 50.0 1.0
O D:LEU238 3.2 49.9 1.0
C D:LYS236 4.0 48.0 1.0
CA D:LYS236 4.1 47.9 1.0
O D:ASP247 4.3 51.0 1.0
CZ D:PHE251 4.4 47.9 1.0
O D:MET235 4.4 50.4 1.0
C D:LEU238 4.4 51.0 1.0
CE1 D:PHE251 4.5 48.5 1.0
N D:LEU238 4.8 48.2 1.0
CB D:LYS236 5.0 50.7 1.0

Potassium binding site 4 out of 6 in 8b7u

Go back to Potassium Binding Sites List in 8b7u
Potassium binding site 4 out of 6 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K1007

b:74.6
occ:1.00
 O F:LYS236 3.3 70.6 1.0
O F:LEU238 3.7 72.7 1.0
C F:LYS236 4.1 68.1 1.0
O F:ASP247 4.2 78.7 1.0
CA F:LYS236 4.2 67.2 1.0
O F:MET235 4.8 64.9 1.0
CZ F:PHE251 4.8 70.9 1.0
CE1 F:PHE251 4.8 71.6 1.0
C F:LEU238 4.9 74.0 1.0
CB F:LYS236 4.9 69.1 1.0

Potassium binding site 5 out of 6 in 8b7u

Go back to Potassium Binding Sites List in 8b7u
Potassium binding site 5 out of 6 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K1007

b:74.0
occ:1.00
 O G:LYS236 3.3 66.0 1.0
O G:LEU238 3.5 66.2 1.0
C G:LYS236 4.2 65.6 1.0
O G:ASP247 4.2 68.5 1.0
CA G:LYS236 4.3 65.2 1.0
CZ G:PHE251 4.6 62.3 1.0
CE1 G:PHE251 4.6 63.2 1.0
C G:LEU238 4.7 69.0 1.0
O G:MET235 4.7 62.3 1.0

Potassium binding site 6 out of 6 in 8b7u

Go back to Potassium Binding Sites List in 8b7u
Potassium binding site 6 out of 6 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
H:K1006

b:75.3
occ:1.00
 O H:LEU238 3.0 66.7 1.0
O H:LYS236 3.1 71.2 1.0
C H:LYS236 3.9 70.1 1.0
CA H:LYS236 4.2 70.0 1.0
CZ H:PHE251 4.2 72.0 1.0
C H:LEU238 4.2 68.1 1.0
O H:MET235 4.3 64.6 1.0
CE1 H:PHE251 4.4 72.4 1.0
O H:ASP247 4.4 73.7 1.0
N H:LEU238 4.6 66.7 1.0
CA H:LEU238 4.9 66.9 1.0
N H:LYS240 5.0 70.2 1.0
CB H:LEU238 5.0 65.9 1.0
CB H:LYS240 5.0 70.1 1.0

Reference:

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
Page generated: Mon Aug 12 22:03:07 2024

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