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Magnesium in PDB 5sa2: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1148747945

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1148747945

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1148747945:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1148747945, PDB code: 5sa2 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) 78.03 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.05, 108.7, 112.09, 90, 90, 90
R / Rfree (%) 19.8 / 23.8

Other elements in 5sa2:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1148747945 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 Z1148747945 (pdb code 5sa2). 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 Z1148747945, PDB code: 5sa2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5sa2

Go back to Magnesium Binding Sites List in 5sa2
Magnesium binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1148747945


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 Z1148747945 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg509

b:62.6
occ:1.00
 O A:PHE114 2.2 52.4 1.0
O A:LEU120 2.3 52.6 1.0
O A:THR117 2.4 53.4 1.0
OD1 A:ASP121 3.2 65.2 1.0
C A:PHE114 3.3 57.5 1.0
C A:LEU120 3.5 48.1 1.0
C A:THR117 3.6 59.4 1.0
CG A:ASP121 3.8 59.2 1.0
O A:ASN115 3.9 66.8 1.0
OD2 A:ASP121 4.1 61.1 1.0
N A:ASN115 4.2 58.3 1.0
CA A:PHE114 4.2 42.4 1.0
CA A:ASN115 4.3 64.5 1.0
C A:ASN115 4.3 61.5 1.0
CA A:LEU120 4.3 52.2 1.0
N A:ASP121 4.4 46.9 1.0
O A:HOH777 4.4 48.8 1.0
CA A:ASP121 4.4 51.7 1.0
CB A:LEU120 4.4 50.0 1.0
N A:THR117 4.4 65.5 1.0
N A:LEU120 4.5 60.2 1.0
CA A:THR117 4.5 66.4 1.0
N A:GLU118 4.6 59.8 1.0
N A:GLY119 4.7 61.3 1.0
CA A:GLU118 4.7 62.9 1.0
CB A:ASP121 4.8 55.9 1.0
CB A:PHE114 4.8 42.9 1.0
C A:GLU118 4.8 59.2 1.0
CB A:THR117 4.9 63.6 1.0

Magnesium binding site 2 out of 2 in 5sa2

Go back to Magnesium Binding Sites List in 5sa2
Magnesium binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z1148747945


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 Z1148747945 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg508

b:38.8
occ:1.00
 O B:THR117 2.2 45.3 1.0
O B:HOH715 2.2 46.1 1.0
O B:PHE114 2.3 44.8 1.0
O B:LEU120 2.3 37.4 1.0
O B:HOH765 2.3 39.3 1.0
C B:THR117 3.2 52.1 1.0
C B:LEU120 3.3 34.7 1.0
C B:PHE114 3.5 45.5 1.0
OD1 B:ASP121 3.9 47.6 1.0
N B:LEU120 3.9 39.8 1.0
N B:GLU118 4.1 45.9 1.0
N B:THR117 4.1 52.4 1.0
CA B:LEU120 4.1 36.9 1.0
CA B:GLU118 4.1 46.8 1.0
CA B:THR117 4.2 49.7 1.0
CA B:PHE114 4.2 40.9 1.0
N B:ASP121 4.3 36.4 1.0
O B:ASN115 4.4 59.1 1.0
CB B:LEU120 4.4 40.0 1.0
C B:ASN115 4.5 52.9 1.0
CA B:ASP121 4.5 34.6 1.0
C B:GLU118 4.5 48.7 1.0
N B:ASN115 4.5 49.8 1.0
N B:GLY119 4.6 49.9 1.0
CB B:THR117 4.7 48.2 1.0
CG B:ASP121 4.7 43.5 1.0
CA B:ASN115 4.8 55.3 1.0
CB B:PHE114 4.9 37.8 1.0
N B:ASP116 4.9 51.1 1.0

Reference:

A.Fiorillo, A.Ilari. Pandda Analysis Group Deposition To Be Published.
Page generated: Mon Sep 30 03:01:36 2024

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