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Magnesium 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:

Fluorine (F) 2 atoms
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 Z26769872 (pdb code 5s9w). 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 Z26769872, PDB code: 5s9w:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5s9w

Go back to Magnesium Binding Sites List in 5s9w
Magnesium 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 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 Z26769872 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg510

b:61.9
occ:1.00
 O A:PHE114 2.0 63.6 1.0
O A:THR117 2.3 62.2 1.0
O A:HOH607 2.3 62.7 1.0
O A:LEU120 2.6 59.0 1.0
C A:PHE114 3.2 66.0 1.0
O A:ASN115 3.3 71.5 1.0
C A:THR117 3.4 68.8 1.0
C A:LEU120 3.6 60.6 1.0
OD1 A:ASP121 3.8 67.5 1.0
C A:ASN115 3.8 71.0 1.0
N A:THR117 4.0 71.2 1.0
N A:ASN115 4.0 71.0 1.0
N A:LEU120 4.1 77.4 1.0
CA A:ASN115 4.1 68.6 1.0
O A:HOH811 4.2 74.3 1.0
CA A:THR117 4.2 70.9 1.0
CA A:PHE114 4.2 58.1 1.0
CA A:LEU120 4.3 64.0 1.0
N A:GLU118 4.4 72.2 1.0
CB A:LEU120 4.5 59.3 1.0
N A:GLY119 4.5 73.6 1.0
N A:ASP121 4.6 66.0 1.0
CA A:GLU118 4.6 79.7 1.0
C A:ASP116 4.6 71.6 1.0
N A:ASP116 4.7 67.4 1.0
CB A:THR117 4.7 76.1 1.0
C A:GLU118 4.8 76.0 1.0
CA A:ASP121 4.8 68.2 1.0
CB A:PHE114 4.9 55.6 1.0
CG A:ASP121 5.0 74.7 1.0

Magnesium binding site 2 out of 2 in 5s9w

Go back to Magnesium Binding Sites List in 5s9w
Magnesium 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 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 Z26769872 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg508

b:50.4
occ:1.00
 O B:PHE114 2.2 57.1 1.0
O B:HOH810 2.3 58.9 1.0
O B:LEU120 2.4 50.7 1.0
O B:THR117 2.5 58.7 1.0
O B:HOH741 2.6 60.8 1.0
C B:PHE114 3.4 60.4 1.0
C B:LEU120 3.4 50.1 1.0
C B:THR117 3.6 66.5 1.0
O B:ASN115 4.1 73.5 1.0
N B:LEU120 4.1 50.1 1.0
OD1 B:ASP121 4.1 62.5 1.0
CA B:LEU120 4.2 50.1 1.0
CA B:PHE114 4.2 57.9 1.0
C B:ASN115 4.3 69.9 1.0
N B:ASP121 4.3 48.6 1.0
N B:ASN115 4.4 66.7 1.0
N B:THR117 4.4 65.2 1.0
N B:GLU118 4.5 62.2 1.0
CA B:ASP121 4.5 47.5 1.0
CA B:THR117 4.5 62.4 1.0
CA B:ASN115 4.5 70.7 1.0
CB B:LEU120 4.5 52.3 1.0
CA B:GLU118 4.6 65.2 1.0
N B:GLY119 4.7 60.5 1.0
CG B:ASP121 4.7 60.5 1.0
CB B:THR117 4.8 64.5 1.0
C B:GLU118 4.9 64.9 1.0
CB B:PHE114 4.9 54.8 1.0
N B:ASP116 4.9 61.4 1.0

Reference:

A.Fiorillo, A.Ilari. Pandda Analysis Group Deposition To Be Published.
Page generated: Mon Sep 30 03:00:10 2024

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