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Magnesium in PDB 5sa1: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434944

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434944

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434944:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434944, PDB code: 5sa1 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) 56.09 / 1.84
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.06, 109.06, 112.05, 90, 90, 90
R / Rfree (%) 19.2 / 23.2

Other elements in 5sa1:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434944 also contains other interesting chemical elements:

Bromine (Br) 1 atom
Fluorine (F) 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 Z2856434944 (pdb code 5sa1). 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 Z2856434944, PDB code: 5sa1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5sa1

Go back to Magnesium Binding Sites List in 5sa1
Magnesium binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434944


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 Z2856434944 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg510

b:69.6
occ:0.50
 O A:HOH636 1.4 51.2 1.0
O A:PHE114 2.1 48.3 0.5
O A:HOH825 2.1 48.2 1.0
O A:THR117 2.4 48.6 0.5
O A:HOH601 2.5 52.8 1.0
O A:LEU120 2.8 50.7 0.5
C A:PHE114 3.3 47.2 0.5
C A:THR117 3.5 53.6 0.5
O A:ASN115 3.5 52.7 0.5
C A:ASN115 3.8 51.7 0.5
C A:LEU120 3.8 50.4 0.5
CA A:ASN115 3.9 50.8 0.5
N A:ASN115 4.0 50.1 0.5
N A:THR117 4.1 54.5 0.5
OD2 A:ASP121 4.2 52.7 0.5
N A:LEU120 4.3 55.5 0.5
CA A:THR117 4.3 54.7 0.5
N A:GLU118 4.4 55.3 0.5
CA A:PHE114 4.4 45.0 0.5
CA A:LEU120 4.5 52.4 0.5
CA A:GLU118 4.5 56.8 0.5
O A:HOH792 4.6 48.0 1.0
CB A:LEU120 4.6 50.5 0.5
N A:ASP116 4.6 50.4 1.0
N A:GLY119 4.7 52.9 1.0
C A:ASP116 4.8 53.6 1.0
N A:ASP121 4.8 50.1 0.5
CG A:ASP121 4.8 54.8 0.5
C A:GLU118 4.8 55.5 0.5
CB A:THR117 4.9 55.0 0.5
CA A:ASP121 4.9 51.5 0.5

Magnesium binding site 2 out of 2 in 5sa1

Go back to Magnesium Binding Sites List in 5sa1
Magnesium binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z2856434944


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 Z2856434944 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg507

b:45.9
occ:1.00
 O B:HOH602 1.9 43.6 1.0
O B:THR117 2.1 48.1 1.0
O B:PHE114 2.2 53.6 1.0
O B:HOH729 2.4 53.1 1.0
O B:LEU120 2.4 49.8 1.0
C B:THR117 3.1 61.7 1.0
C B:PHE114 3.4 53.3 1.0
C B:LEU120 3.5 45.2 1.0
N B:LEU120 3.9 52.6 1.0
N B:THR117 3.9 63.9 1.0
N B:GLU118 3.9 54.4 1.0
CA B:THR117 3.9 57.2 1.0
CA B:GLU118 4.1 60.2 1.0
CA B:LEU120 4.1 50.0 1.0
O B:ASN115 4.1 79.0 1.0
CA B:PHE114 4.2 51.4 1.0
C B:ASN115 4.3 67.7 1.0
N B:GLY119 4.3 54.1 1.0
CB B:THR117 4.3 60.2 1.0
CB B:LEU120 4.3 52.7 1.0
C B:GLU118 4.4 55.8 1.0
N B:ASN115 4.4 58.3 1.0
N B:ASP121 4.5 43.1 1.0
CA B:ASN115 4.6 65.0 1.0
OD1 B:ASP121 4.7 49.6 1.0
CA B:ASP121 4.7 40.0 1.0
N B:ASP116 4.8 57.0 1.0
O B:MET113 4.9 44.8 1.0
C B:ASP116 5.0 64.0 1.0

Reference:

A.Fiorillo, A.Ilari. Pandda Analysis Group Deposition To Be Published.
Page generated: Mon Sep 30 03:01:33 2024

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