Chlorine in PDB 8b7z: 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: 8b7z was solved by G.J.Palm, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.96 / 3.00
Space group I 21 21 21 1
Cell size a, b, c (Å), α, β, γ (°) 186.359, 204.683, 561.904, 90, 90, 90
R / Rfree (%) 24.9 / 26.8

Other elements in 8b7z:

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

Potassium (K) 3 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the Bacterial Chalcone Isomerase H33A with Taxifolin (pdb code 8b7z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the Bacterial Chalcone Isomerase H33A with Taxifolin, PDB code: 8b7z:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 8b7z

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Chlorine binding site 1 out of 14 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1007

b:51.2
occ:1.00
 OD1 B:ASP247 3.3 66.2 1.0
N B:ASP247 3.4 54.6 1.0
CB B:GLN246 3.5 48.6 1.0
CA B:GLN246 3.6 49.8 1.0
C B:GLN246 4.0 51.9 1.0
CG B:ASP247 4.1 63.1 1.0
CB B:ASP247 4.5 59.0 1.0
CA B:ASP247 4.5 56.2 1.0
O B:GLN245 4.9 46.8 1.0
N B:GLN246 4.9 48.6 1.0
CG B:GLN246 4.9 47.3 1.0

Chlorine binding site 2 out of 14 in 8b7z

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Chlorine binding site 2 out of 14 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1004

b:49.8
occ:1.00
 OD1 C:ASP247 3.4 69.1 1.0
N C:ASP247 3.7 54.0 1.0
CG C:ASP247 3.9 64.9 1.0
CB C:GLN246 4.0 49.5 1.0
CA C:GLN246 4.2 49.9 1.0
CB C:ASP247 4.3 59.3 1.0
C C:GLN246 4.4 51.6 1.0
CA C:ASP247 4.6 56.0 1.0
OD2 C:ASP247 4.7 67.4 1.0

Chlorine binding site 3 out of 14 in 8b7z

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Chlorine binding site 3 out of 14 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1004

b:52.1
occ:1.00
 N D:ASP247 3.4 54.7 1.0
CB D:GLN246 3.4 50.3 1.0
OD1 D:ASP247 3.5 79.4 1.0
CA D:GLN246 3.6 51.1 1.0
C D:GLN246 4.0 52.6 1.0
CG D:ASP247 4.0 72.4 1.0
CB D:ASP247 4.4 63.3 1.0
CA D:ASP247 4.4 58.0 1.0
OD2 D:ASP247 4.7 81.8 1.0
CG D:GLN246 4.8 48.1 1.0
OE1 D:GLN246 4.8 45.1 1.0
N D:GLN246 5.0 50.4 1.0

Chlorine binding site 4 out of 14 in 8b7z

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Chlorine binding site 4 out of 14 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1004

b:53.3
occ:1.00
 OD1 E:ASP247 3.5 77.6 1.0
N E:ASP247 3.6 67.8 1.0
CB E:GLN246 3.8 60.7 1.0
CA E:GLN246 4.0 61.0 1.0
CG E:ASP247 4.0 77.7 1.0
C E:GLN246 4.3 64.5 1.0
CB E:ASP247 4.3 74.3 1.0
CA E:ASP247 4.6 72.3 1.0
OD2 E:ASP247 4.8 77.4 1.0

Chlorine binding site 5 out of 14 in 8b7z

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Chlorine binding site 5 out of 14 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1003

b:59.5
occ:1.00
 OD1 G:ASP247 3.7 77.8 1.0
N G:ASP247 3.8 61.2 1.0
CB G:GLN246 3.9 56.4 1.0
CG G:ASP247 4.0 70.7 1.0
CA G:GLN246 4.2 56.7 1.0
OD2 G:ASP247 4.4 69.8 1.0
C G:GLN246 4.5 58.0 1.0
CB G:ASP247 4.5 67.1 1.0
CA G:ASP247 4.7 65.0 1.0

Chlorine binding site 6 out of 14 in 8b7z

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Chlorine binding site 6 out of 14 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl1004

b:68.1
occ:1.00
 NH2 P:ARG276 3.6 79.5 1.0
NH2 J:ARG276 4.0 77.0 1.0
NH1 J:ARG276 4.0 88.5 1.0
CA I:ALA273 4.1 63.6 1.0
CB I:ALA273 4.4 62.6 1.0
O I:ALA273 4.5 68.4 1.0
CZ P:ARG276 4.5 81.1 1.0
CZ J:ARG276 4.5 81.7 1.0
O I:LEU272 4.5 61.4 1.0
NH1 P:ARG276 4.5 81.3 1.0
NH2 R:ARG276 4.7 101.4 1.0
C I:ALA273 4.8 64.4 1.0
N I:ALA273 5.0 61.2 1.0

Chlorine binding site 7 out of 14 in 8b7z

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Chlorine binding site 7 out of 14 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl1005

b:49.9
occ:1.00
 OD1 I:ASP247 3.5 73.9 1.0
N I:ASP247 3.7 69.3 1.0
CB I:GLN246 3.8 58.4 1.0
CG I:ASP247 3.9 74.2 1.0
CA I:GLN246 4.0 60.6 1.0
OD2 I:ASP247 4.4 80.0 1.0
C I:GLN246 4.4 64.2 1.0
CB I:ASP247 4.5 70.2 1.0
CA I:ASP247 4.7 70.3 1.0

Chlorine binding site 8 out of 14 in 8b7z

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Chlorine binding site 8 out of 14 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl1003

b:61.6
occ:1.00
 NH2 L:ARG276 3.6 74.5 1.0
NH2 A:ARG276 4.0 73.5 1.0
CA K:ALA273 4.4 59.7 1.0
NH2 M:ARG276 4.5 79.8 1.0
CZ L:ARG276 4.6 77.2 1.0
NH1 L:ARG276 4.6 75.9 1.0
NH1 A:ARG276 4.7 74.6 1.0
CB K:ALA273 4.8 58.5 1.0
CZ A:ARG276 4.8 75.6 1.0
O K:LEU272 4.8 49.7 1.0
O K:ALA273 4.8 66.2 1.0
CA N:ALA273 5.0 65.1 1.0
NH1 M:ARG276 5.0 73.0 1.0

Chlorine binding site 9 out of 14 in 8b7z

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Chlorine binding site 9 out of 14 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl1004

b:57.7
occ:1.00
 N K:ASP247 3.4 77.6 1.0
OD1 K:ASP247 3.5 85.3 1.0
CB K:GLN246 3.6 70.1 1.0
CG K:ASP247 3.8 82.2 1.0
CA K:GLN246 3.9 70.0 1.0
C K:GLN246 4.1 73.5 1.0
CB K:ASP247 4.2 74.4 1.0
OD2 K:ASP247 4.3 91.0 1.0
CA K:ASP247 4.4 76.0 1.0
OE1 K:GLN246 4.8 79.6 1.0
CG K:GLN246 4.9 70.8 1.0

Chlorine binding site 10 out of 14 in 8b7z

Go back to Chlorine Binding Sites List in 8b7z
Chlorine binding site 10 out of 14 in the Bacterial Chalcone Isomerase H33A with Taxifolin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Bacterial Chalcone Isomerase H33A with Taxifolin within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl1003

b:62.3
occ:1.00
 N L:ASP247 3.2 81.7 1.0
CB L:GLN246 3.7 76.8 1.0
CB L:ASP247 3.8 90.9 1.0
CA L:GLN246 3.8 78.8 1.0
C L:GLN246 4.0 79.9 1.0
CA L:ASP247 4.1 86.2 1.0
CG L:ASP247 4.8 97.8 1.0
OD2 L:ASP247 4.9 107.7 1.0
OE1 L:GLN246 5.0 64.4 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: Tue Apr 4 22:31:56 2023

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