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Magnesium in PDB 5s9z: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434884

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434884

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434884:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434884, PDB code: 5s9z 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) 65.07 / 1.73
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.779, 108.468, 112.036, 90, 90, 90
R / Rfree (%) 19.1 / 22.7

Other elements in 5s9z:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434884 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 Z2856434884 (pdb code 5s9z). 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 Z2856434884, PDB code: 5s9z:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5s9z

Go back to Magnesium Binding Sites List in 5s9z
Magnesium binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434884


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 Z2856434884 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg510

b:56.5
occ:1.00
 O A:PHE114 2.1 50.7 1.0
O A:THR117 2.4 53.5 1.0
O A:LEU120 2.4 56.1 1.0
OD1 A:ASP121 3.1 58.9 1.0
C A:PHE114 3.3 55.0 1.0
C A:LEU120 3.5 47.6 1.0
C A:THR117 3.5 61.6 1.0
O A:ASN115 3.7 63.8 1.0
N A:THR117 4.0 64.4 1.0
C A:ASN115 4.1 61.0 1.0
N A:LEU120 4.1 59.3 1.0
CA A:THR117 4.2 59.6 1.0
N A:ASN115 4.2 61.3 1.0
CA A:ASN115 4.2 61.5 1.0
CA A:LEU120 4.2 53.9 1.0
CG A:ASP121 4.3 56.4 1.0
CA A:PHE114 4.4 41.7 1.0
N A:ASP121 4.4 51.9 1.0
O A:HOH776 4.4 50.4 1.0
CB A:LEU120 4.4 48.3 1.0
N A:GLU118 4.5 60.9 1.0
CA A:ASP121 4.5 55.2 1.0
CB A:THR117 4.6 64.7 1.0
N A:GLY119 4.7 59.6 1.0
CA A:GLU118 4.7 67.5 1.0
N A:ASP116 4.9 56.1 1.0
C A:GLU118 4.9 60.3 1.0
CB A:PHE114 4.9 42.9 1.0
CB A:ASP121 5.0 57.7 1.0

Magnesium binding site 2 out of 2 in 5s9z

Go back to Magnesium Binding Sites List in 5s9z
Magnesium binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434884


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 Z2856434884 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg508

b:44.6
occ:1.00
 O B:HOH682 2.0 45.5 1.0
O B:PHE114 2.2 43.8 1.0
O B:THR117 2.2 43.9 1.0
O B:LEU120 2.3 41.5 1.0
O B:HOH763 2.4 46.0 1.0
C B:THR117 3.3 55.1 1.0
C B:LEU120 3.4 39.0 1.0
C B:PHE114 3.4 47.1 1.0
N B:LEU120 4.0 39.8 1.0
N B:THR117 4.0 54.9 1.0
OD1 B:ASP121 4.0 54.2 1.0
N B:GLU118 4.1 53.1 1.0
CA B:THR117 4.2 51.4 1.0
CA B:LEU120 4.2 41.6 1.0
CA B:PHE114 4.2 44.5 1.0
CA B:GLU118 4.3 54.7 1.0
N B:ASP121 4.3 39.6 1.0
O B:ASN115 4.4 65.5 1.0
N B:ASN115 4.4 49.7 1.0
C B:ASN115 4.4 54.5 1.0
CB B:LEU120 4.4 43.6 1.0
CA B:ASP121 4.5 39.3 1.0
CB B:THR117 4.6 52.0 1.0
CA B:ASN115 4.6 57.0 1.0
C B:GLU118 4.6 50.6 1.0
N B:GLY119 4.6 52.5 1.0
CG B:ASP121 4.7 50.0 1.0
N B:ASP116 4.8 51.1 1.0
CB B:PHE114 4.8 42.5 1.0
C B:ASP116 5.0 55.0 1.0

Reference:

A.Fiorillo, A.Ilari. Pandda Analysis Group Deposition To Be Published.
Page generated: Mon Sep 30 03:00:09 2024

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