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Magnesium in PDB 5s9v: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434826

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434826

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434826:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434826, PDB code: 5s9v 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) 65.19 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.03, 108.79, 111.93, 90, 90, 90
R / Rfree (%) 18.4 / 22.9

Other elements in 5s9v:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434826 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 Z2856434826 (pdb code 5s9v). 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 Z2856434826, PDB code: 5s9v:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5s9v

Go back to Magnesium Binding Sites List in 5s9v
Magnesium binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434826


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 Z2856434826 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg510

b:61.8
occ:0.50
 O A:PHE114 1.8 57.2 0.5
O A:THR117 2.3 60.1 0.5
O A:HOH781 2.4 54.8 1.0
O A:HOH602 2.4 58.5 1.0
O A:LEU120 2.5 57.5 0.5
C A:PHE114 3.0 55.3 0.5
C A:THR117 3.4 63.1 0.5
O A:ASN115 3.5 62.1 0.5
C A:LEU120 3.6 55.2 0.5
CA A:ASN115 3.7 59.4 0.5
C A:ASN115 3.7 60.8 0.5
N A:ASN115 3.7 57.9 0.5
OD2 A:ASP121 3.8 56.1 0.5
N A:THR117 4.0 64.8 0.5
CA A:PHE114 4.1 50.7 0.5
N A:LEU120 4.2 61.0 0.5
CA A:THR117 4.2 63.1 0.5
CA A:LEU120 4.3 57.8 0.5
CB A:LEU120 4.4 55.9 0.5
N A:GLU118 4.4 61.6 1.0
N A:ASP121 4.6 54.5 0.5
N A:ASP116 4.6 59.7 1.0
O A:HOH769 4.6 54.5 0.5
CB A:THR117 4.7 63.3 0.5
CA A:GLU118 4.7 67.7 1.0
CA A:ASP121 4.8 55.5 0.5
N A:GLY119 4.8 58.9 1.0
CB A:PHE114 4.8 49.4 0.5
CG A:ASP121 4.8 57.0 0.5
C A:ASP116 4.9 64.2 1.0
C A:GLU118 4.9 63.7 1.0

Magnesium binding site 2 out of 2 in 5s9v

Go back to Magnesium Binding Sites List in 5s9v
Magnesium binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434826


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 Z2856434826 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg508

b:49.0
occ:1.00
 O B:HOH725 2.0 49.6 1.0
O B:THR117 2.1 46.5 1.0
O B:PHE114 2.2 49.3 1.0
O B:LEU120 2.4 46.8 1.0
O B:HOH740 2.4 51.4 1.0
C B:THR117 3.3 57.9 1.0
C B:PHE114 3.4 49.2 1.0
C B:LEU120 3.5 43.5 1.0
N B:THR117 4.0 55.8 1.0
N B:LEU120 4.1 46.9 1.0
N B:GLU118 4.2 51.8 1.0
CA B:THR117 4.2 52.8 1.0
CA B:PHE114 4.2 47.3 1.0
CA B:LEU120 4.2 44.9 1.0
O B:ASN115 4.2 67.0 1.0
CA B:GLU118 4.3 58.8 1.0
C B:ASN115 4.3 58.4 1.0
OD1 B:ASP121 4.4 53.7 1.0
N B:ASP121 4.4 44.5 1.0
N B:ASN115 4.4 53.2 1.0
CA B:ASP121 4.5 41.6 1.0
CB B:LEU120 4.6 47.2 1.0
CA B:ASN115 4.6 61.4 1.0
CB B:THR117 4.6 55.3 1.0
N B:GLY119 4.7 52.3 1.0
C B:GLU118 4.7 52.0 1.0
CG B:ASP121 4.8 55.8 1.0
N B:ASP116 4.8 50.2 1.0
CB B:PHE114 4.9 46.9 1.0

Reference:

A.Fiorillo, A.Ilari. Pandda Analysis Group Deposition To Be Published.
Page generated: Mon Sep 30 03:00:07 2024

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