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Fluorine in PDB 5s9w: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872, PDB code: 5s9w was solved by A.Fiorillo, A.Ilari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 78.14 / 1.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.65, 109.11, 111.97, 90, 90, 90
R / Rfree (%) 19.6 / 24.7

Other elements in 5s9w:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Bromine (Br) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872 (pdb code 5s9w). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872, PDB code: 5s9w:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5s9w

Go back to Fluorine Binding Sites List in 5s9w
Fluorine binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F509

b:73.5
occ:0.66
 F1 A:N08509 0.0 73.5 0.7
C11 A:N08509 1.4 69.8 0.7
C12 A:N08509 2.3 68.4 0.7
C10 A:N08509 2.3 66.7 0.7
CD2 A:LEU399 3.0 72.5 0.7
CG1 B:VAL58 3.4 40.5 1.0
C13 A:N08509 3.6 66.7 0.7
O B:VAL58 3.6 33.2 1.0
C9 A:N08509 3.6 67.0 0.7
CA B:VAL58 3.8 36.9 1.0
CB A:LEU399 3.8 70.0 0.7
CB B:VAL58 4.0 37.2 1.0
CG A:LEU399 4.0 72.9 0.7
C B:VAL58 4.1 35.0 1.0
C8 A:N08509 4.1 65.2 0.7
CG2 B:VAL58 4.1 39.4 1.0
CG B:LEU62 4.2 32.8 1.0
CD2 B:LEU62 4.2 36.1 1.0
CD1 B:LEU62 4.7 37.8 1.0
CB A:PRO462 4.8 38.3 1.0
CB B:LYS61 4.8 40.3 1.0
CG B:LYS61 5.0 44.4 1.0
O2 A:N08509 5.0 54.2 0.7

Fluorine binding site 2 out of 2 in 5s9w

Go back to Fluorine Binding Sites List in 5s9w
Fluorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z26769872 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F506

b:49.0
occ:0.72
 F1 B:N08506 0.0 49.0 0.7
C11 B:N08506 1.4 46.9 0.7
C12 B:N08506 2.3 44.8 0.7
C10 B:N08506 2.4 46.3 0.7
CD2 A:LEU62 3.3 42.0 1.0
O A:VAL58 3.4 33.1 1.0
CG A:LEU62 3.4 39.8 1.0
CG1 A:VAL58 3.5 31.5 1.0
C13 B:N08506 3.6 45.1 0.7
C9 B:N08506 3.6 45.1 0.7
CB B:LEU399 3.7 58.6 1.0
CG B:LEU399 3.8 65.7 1.0
CA A:VAL58 3.9 31.2 1.0
C A:VAL58 3.9 32.8 1.0
CD1 A:LEU62 4.1 39.6 1.0
C8 B:N08506 4.1 44.9 0.7
CD2 B:LEU399 4.2 66.1 1.0
CB A:VAL58 4.2 32.1 1.0
CB A:LYS61 4.4 34.9 1.0
N A:LEU62 4.5 33.8 1.0
CG2 A:VAL58 4.6 34.5 1.0
CB A:LEU62 4.6 35.8 1.0
CG A:LYS61 4.7 38.9 1.0
O B:HOH711 4.8 48.0 1.0
CA A:LEU62 4.9 35.8 1.0

Reference:

A.Fiorillo, A.Ilari. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:09:07 2024

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