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Magnesium in PDB 5s9y: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z24758179

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z24758179

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z24758179:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z24758179, PDB code: 5s9y 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) 64.33 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.773, 108.363, 112.071, 90, 90, 90
R / Rfree (%) 19.6 / 23.6

Other elements in 5s9y:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z24758179 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 Z24758179 (pdb code 5s9y). 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 Z24758179, PDB code: 5s9y:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5s9y

Go back to Magnesium Binding Sites List in 5s9y
Magnesium binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z24758179


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 Z24758179 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg510

b:73.5
occ:1.00
 O A:PHE114 2.0 53.5 1.0
O A:LEU120 2.5 57.2 1.0
O A:THR117 2.6 63.8 1.0
OD1 A:ASP121 2.9 70.1 1.0
CG A:ASP121 3.3 66.9 1.0
C A:PHE114 3.3 54.6 1.0
OD2 A:ASP121 3.3 64.5 1.0
C A:LEU120 3.5 56.7 1.0
O A:ASN115 3.6 68.2 1.0
C A:THR117 3.7 69.9 1.0
CA A:ASN115 3.8 64.8 1.0
C A:ASN115 4.0 65.9 1.0
N A:ASN115 4.0 59.8 1.0
O A:HOH753 4.2 53.6 1.0
CA A:ASP121 4.3 61.1 1.0
N A:THR117 4.3 73.2 1.0
N A:ASP121 4.3 56.7 1.0
CB A:ASP121 4.4 62.6 1.0
CA A:PHE114 4.4 45.6 1.0
CA A:LEU120 4.5 59.3 1.0
CA A:THR117 4.5 67.7 1.0
N A:LEU120 4.5 64.3 1.0
N A:GLU118 4.7 67.2 1.0
CB A:LEU120 4.7 55.5 1.0
CA A:GLU118 4.8 68.4 1.0
N A:GLY119 4.8 62.6 1.0
C A:GLY119 4.9 63.0 1.0
N A:ASP116 4.9 66.2 1.0
C A:GLU118 4.9 65.0 1.0
CB A:THR117 5.0 71.9 1.0

Magnesium binding site 2 out of 2 in 5s9y

Go back to Magnesium Binding Sites List in 5s9y
Magnesium binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z24758179


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 Z24758179 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg508

b:44.8
occ:1.00
 O B:HOH665 2.1 47.5 1.0
O B:THR117 2.2 51.3 1.0
O B:PHE114 2.2 47.0 1.0
O B:LEU120 2.3 41.9 1.0
O B:HOH759 2.4 49.8 1.0
C B:THR117 3.3 57.8 1.0
C B:LEU120 3.4 39.7 1.0
C B:PHE114 3.4 49.0 1.0
N B:LEU120 4.0 45.4 1.0
N B:THR117 4.1 55.7 1.0
OD1 B:ASP121 4.1 53.0 1.0
CA B:PHE114 4.1 45.2 1.0
CA B:LEU120 4.2 41.8 1.0
N B:GLU118 4.2 53.3 1.0
CA B:THR117 4.2 53.8 1.0
CA B:GLU118 4.3 55.9 1.0
N B:ASP121 4.3 41.5 1.0
O B:ASN115 4.4 61.1 1.0
CB B:LEU120 4.4 45.4 1.0
N B:ASN115 4.4 50.6 1.0
C B:ASN115 4.5 55.2 1.0
CA B:ASP121 4.5 39.9 1.0
CB B:THR117 4.6 55.2 1.0
C B:GLU118 4.6 52.4 1.0
N B:GLY119 4.6 54.3 1.0
CA B:ASN115 4.7 56.9 1.0
CB B:PHE114 4.8 42.5 1.0
CG B:ASP121 4.8 51.4 1.0
N B:ASP116 4.9 49.8 1.0
O B:MET113 5.0 41.0 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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