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Magnesium in PDB 5s9t: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742, PDB code: 5s9t 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) 78.10 / 1.66
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.35, 108.9, 112.07, 90, 90, 90
R / Rfree (%) 18.8 / 22.1

Other elements in 5s9t:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742 also contains other interesting chemical elements:

Bromine (Br) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742 (pdb code 5s9t). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742, PDB code: 5s9t:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5s9t

Go back to Magnesium Binding Sites List in 5s9t
Magnesium binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg509

b:48.4
occ:1.00
 O A:LEU120 2.1 42.7 1.0
O A:PHE114 2.2 43.4 1.0
O A:THR117 2.6 44.4 1.0
C A:LEU120 3.2 38.3 1.0
C A:PHE114 3.4 48.0 1.0
OD2 A:ASP121 3.5 50.0 1.0
C A:THR117 3.7 45.9 1.0
CG A:ASP121 3.8 51.4 1.0
O A:ASN115 3.8 58.9 1.0
OD1 A:ASP121 3.8 62.1 1.0
CA A:LEU120 4.1 39.4 1.0
N A:ASP121 4.1 40.1 1.0
N A:LEU120 4.2 47.4 1.0
C A:ASN115 4.2 54.7 1.0
N A:THR117 4.2 54.6 1.0
CA A:ASP121 4.3 46.0 1.0
N A:ASN115 4.3 53.7 1.0
CA A:ASN115 4.3 57.6 1.0
CB A:LEU120 4.3 39.8 1.0
CA A:PHE114 4.4 37.5 1.0
CA A:THR117 4.4 51.9 1.0
O A:HOH732 4.4 41.3 1.0
CB A:ASP121 4.7 49.6 1.0
N A:GLU118 4.7 48.0 1.0
CB A:THR117 4.7 50.9 1.0
N A:GLY119 4.8 45.6 1.0
C A:GLY119 4.9 50.4 1.0
CB A:PHE114 4.9 37.5 1.0
CA A:GLU118 5.0 51.9 1.0

Magnesium binding site 2 out of 2 in 5s9t

Go back to Magnesium Binding Sites List in 5s9t
Magnesium binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1614545742 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg508

b:30.6
occ:1.00
 O B:HOH741 2.1 37.4 1.0
O B:THR117 2.2 34.5 1.0
O B:PHE114 2.2 37.8 1.0
O B:LEU120 2.3 30.9 1.0
O B:HOH732 2.4 35.6 1.0
C B:THR117 3.3 40.2 1.0
C B:LEU120 3.3 26.9 1.0
C B:PHE114 3.4 40.7 1.0
OD1 B:ASP121 3.9 43.4 1.0
N B:LEU120 3.9 32.6 1.0
N B:THR117 4.1 40.2 1.0
CA B:LEU120 4.1 30.5 1.0
N B:GLU118 4.1 36.1 1.0
CA B:THR117 4.2 38.1 1.0
CA B:GLU118 4.2 40.0 1.0
CA B:PHE114 4.2 32.9 1.0
N B:ASP121 4.3 28.8 1.0
O B:ASN115 4.3 49.4 1.0
CB B:LEU120 4.4 34.4 1.0
C B:ASN115 4.4 43.8 1.0
N B:ASN115 4.5 39.0 1.0
CA B:ASP121 4.5 26.1 1.0
C B:GLU118 4.6 38.3 1.0
N B:GLY119 4.6 41.4 1.0
CA B:ASN115 4.7 44.1 1.0
CG B:ASP121 4.7 39.5 1.0
CB B:THR117 4.7 36.0 1.0
N B:ASP116 4.8 41.1 1.0
CB B:PHE114 4.9 31.6 1.0

Reference:

A.Fiorillo, A.Ilari. Pandda Analysis Group Deposition To Be Published.
Page generated: Tue Aug 12 19:01:19 2025

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