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Magnesium in PDB 5s9s: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898, PDB code: 5s9s 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) 77.95 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.282, 108.597, 111.946, 90, 90, 90
R / Rfree (%) 20.2 / 24.4

Other elements in 5s9s:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898 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 Z2856434898 (pdb code 5s9s). 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 Z2856434898, PDB code: 5s9s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5s9s

Go back to Magnesium Binding Sites List in 5s9s
Magnesium binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898


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 Z2856434898 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg510

b:55.0
occ:1.00
O A:PHE114 2.1 50.7 1.0
O A:THR117 2.4 53.7 1.0
O A:LEU120 2.5 45.0 1.0
C A:PHE114 3.3 50.0 1.0
C A:LEU120 3.5 44.0 1.0
C A:THR117 3.6 58.3 1.0
OD1 A:ASP121 3.6 69.8 1.0
OD2 A:ASP121 3.8 61.6 1.0
CG A:ASP121 3.9 59.3 1.0
O A:ASN115 3.9 62.4 1.0
N A:LEU120 4.0 56.2 1.0
CA A:ASN115 4.1 59.0 1.0
N A:ASN115 4.1 52.6 1.0
C A:ASN115 4.2 58.4 1.0
CA A:LEU120 4.2 50.9 1.0
N A:THR117 4.2 60.9 1.0
CB A:LEU120 4.3 47.0 1.0
CA A:THR117 4.4 59.4 1.0
CA A:PHE114 4.4 43.0 1.0
N A:ASP121 4.5 44.5 1.0
N A:GLU118 4.5 60.4 1.0
N A:GLY119 4.6 56.0 1.0
CA A:ASP121 4.6 51.1 1.0
O A:HOH725 4.6 42.0 1.0
CA A:GLU118 4.7 61.9 1.0
CB A:THR117 4.7 58.6 1.0
C A:GLU118 4.8 58.8 1.0
CB A:ASP121 4.9 57.1 1.0
CB A:PHE114 4.9 41.4 1.0
N A:ASP116 5.0 56.6 1.0

Magnesium binding site 2 out of 2 in 5s9s

Go back to Magnesium Binding Sites List in 5s9s
Magnesium binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434898


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 Z2856434898 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg507

b:39.0
occ:1.00
O B:HOH648 2.0 45.5 1.0
O B:THR117 2.1 41.9 1.0
O B:LEU120 2.2 34.2 1.0
O B:PHE114 2.3 41.0 1.0
O B:HOH645 2.5 38.6 1.0
C B:THR117 3.2 48.0 1.0
C B:LEU120 3.3 34.0 1.0
C B:PHE114 3.5 44.2 1.0
N B:LEU120 3.8 39.0 1.0
CA B:LEU120 4.0 37.3 1.0
N B:GLU118 4.1 46.5 1.0
OD1 B:ASP121 4.1 52.3 1.0
N B:THR117 4.1 48.7 1.0
CA B:THR117 4.2 45.9 1.0
CA B:GLU118 4.2 48.8 1.0
CA B:PHE114 4.2 39.1 1.0
O B:ASN115 4.3 54.2 1.0
N B:ASP121 4.3 34.8 1.0
CB B:LEU120 4.4 39.1 1.0
N B:GLY119 4.4 47.5 1.0
C B:GLU118 4.4 46.2 1.0
C B:ASN115 4.5 47.8 1.0
N B:ASN115 4.5 44.8 1.0
CA B:ASP121 4.5 33.6 1.0
CB B:THR117 4.6 45.1 1.0
CG B:ASP121 4.7 45.6 1.0
CA B:ASN115 4.8 50.5 1.0
CB B:PHE114 4.9 34.5 1.0
N B:ASP116 4.9 46.5 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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