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Magnesium in PDB 5s9u: Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z32327641

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z32327641

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z32327641:
1.8.1.12;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z32327641, PDB code: 5s9u 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) 65.10 / 1.73
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.96, 108.51, 111.68, 90, 90, 90
R / Rfree (%) 19.2 / 22.9

Other elements in 5s9u:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z32327641 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 Z32327641 (pdb code 5s9u). 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 Z32327641, PDB code: 5s9u:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5s9u

Go back to Magnesium Binding Sites List in 5s9u
Magnesium binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z32327641


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 Z32327641 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg509

b:60.1
occ:1.00
 O A:PHE114 2.1 51.5 1.0
O A:THR117 2.3 59.5 1.0
O A:LEU120 2.4 51.8 1.0
C A:PHE114 3.3 56.8 1.0
O A:ASN115 3.5 67.0 1.0
OD1 A:ASP121 3.5 59.0 1.0
C A:THR117 3.5 58.4 1.0
C A:LEU120 3.6 48.1 1.0
OD2 A:ASP121 3.8 53.3 1.0
CG A:ASP121 3.9 55.7 1.0
CA A:ASN115 3.9 67.5 1.0
C A:ASN115 4.0 62.3 1.0
N A:ASN115 4.0 63.2 1.0
N A:THR117 4.2 67.7 1.0
CA A:THR117 4.3 65.0 1.0
CA A:PHE114 4.3 39.5 1.0
CA A:LEU120 4.5 48.8 1.0
N A:ASP121 4.5 43.3 1.0
N A:GLU118 4.5 58.8 1.0
CB A:LEU120 4.5 48.6 1.0
CA A:ASP121 4.6 51.5 1.0
N A:LEU120 4.6 55.7 1.0
CB A:THR117 4.7 61.8 1.0
O A:HOH741 4.7 48.1 1.0
CA A:GLU118 4.7 62.3 1.0
N A:GLY119 4.8 59.3 1.0
CB A:ASP121 4.9 51.1 1.0
C A:GLU118 5.0 58.9 1.0
N A:ASP116 5.0 55.4 1.0
CB A:PHE114 5.0 40.6 1.0

Magnesium binding site 2 out of 2 in 5s9u

Go back to Magnesium Binding Sites List in 5s9u
Magnesium binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Trypanosoma Brucei Trypanothione Reductase in Complex with Z32327641


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 Z32327641 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg508

b:39.7
occ:1.00
 O B:PHE114 2.3 41.9 1.0
O B:LEU120 2.3 34.6 1.0
O B:HOH748 2.3 43.6 1.0
O B:THR117 2.3 43.5 1.0
O B:HOH724 2.4 45.2 1.0
C B:LEU120 3.4 32.8 1.0
C B:THR117 3.4 49.6 1.0
C B:PHE114 3.4 42.6 1.0
N B:LEU120 4.0 39.9 1.0
OD1 B:ASP121 4.1 48.4 1.0
CA B:LEU120 4.2 37.8 1.0
N B:THR117 4.2 49.1 1.0
CA B:PHE114 4.2 38.1 1.0
N B:GLU118 4.2 44.7 1.0
CA B:GLU118 4.3 47.2 1.0
CA B:THR117 4.3 47.3 1.0
N B:ASP121 4.3 35.2 1.0
O B:ASN115 4.3 58.9 1.0
CA B:ASP121 4.4 31.8 1.0
N B:ASN115 4.5 47.4 1.0
C B:ASN115 4.5 52.2 1.0
N B:GLY119 4.5 47.0 1.0
CB B:LEU120 4.5 39.4 1.0
C B:GLU118 4.6 44.2 1.0
CA B:ASN115 4.7 52.9 1.0
CG B:ASP121 4.7 46.6 1.0
CB B:THR117 4.8 44.3 1.0
CB B:PHE114 4.8 36.2 1.0
N B:ASP116 4.9 48.7 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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