Magnesium in PDB 8p84: X-Ray Structure of Thermoanaerobacterales Bacterium Monoamine Oxidase

The structure of X-Ray Structure of Thermoanaerobacterales Bacterium Monoamine Oxidase, PDB code: 8p84 was solved by L.Basile, L.L.Santema, M.W.Fraaije, C.Binda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.13 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.931, 94.167, 127.277, 90, 90, 90
R / Rfree (%)	15.9 / 18.5

The binding sites of Magnesium atom in the X-Ray Structure of Thermoanaerobacterales Bacterium Monoamine Oxidase (pdb code 8p84). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the X-Ray Structure of Thermoanaerobacterales Bacterium Monoamine Oxidase, PDB code: 8p84:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the X-Ray Structure of Thermoanaerobacterales Bacterium Monoamine Oxidase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Structure of Thermoanaerobacterales Bacterium Monoamine Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:25.6 occ:1.00 O A:HOH801 2.0 27.3 1.0 O A:THR84 2.1 24.6 1.0 O A:HOH756 2.1 29.4 1.0 O A:HOH747 2.1 24.4 1.0 O A:HOH866 2.1 25.1 1.0 O A:HOH679 2.1 26.2 1.0 C A:THR84 3.2 22.6 1.0 CA A:THR84 3.7 22.4 1.0 OD1 A:ASP88 4.1 24.2 1.0 CB A:THR84 4.1 23.9 1.0 O A:HOH630 4.2 31.3 1.0 OD2 A:ASP88 4.2 25.4 1.0 N A:GLU85 4.3 21.6 1.0 O A:HOH718 4.4 30.7 1.0 O A:HOH879 4.4 22.7 1.0 CG A:ASP88 4.5 24.2 1.0 O A:GLY86 4.5 21.3 1.0 O A:PRO101 4.5 39.6 1.0 CA A:GLU85 4.7 22.5 1.0 OD1 A:ASP102 4.8 64.0 1.0 C A:GLU85 5.0 21.4 1.0

Magnesium binding site 2 out of 3 in the X-Ray Structure of Thermoanaerobacterales Bacterium Monoamine Oxidase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Structure of Thermoanaerobacterales Bacterium Monoamine Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:22.2 occ:1.00 O B:HOH797 2.0 24.9 1.0 O B:THR84 2.0 23.0 1.0 O B:HOH710 2.0 26.2 1.0 O B:HOH747 2.1 21.8 1.0 O B:HOH638 2.1 24.7 1.0 O B:HOH865 2.1 22.8 1.0 C B:THR84 3.1 22.1 1.0 CA B:THR84 3.7 21.8 1.0 CB B:THR84 4.1 23.7 1.0 OD1 B:ASP88 4.2 22.1 1.0 O B:HOH766 4.2 26.5 1.0 OD2 B:ASP88 4.2 26.8 1.0 N B:GLU85 4.3 22.3 1.0 O B:PRO101 4.3 40.7 1.0 O B:HOH615 4.3 27.1 1.0 O B:HOH848 4.4 24.8 1.0 O B:GLY86 4.5 22.1 1.0 CG B:ASP88 4.6 23.4 1.0 CA B:GLU85 4.7 25.0 1.0 C B:GLU85 4.9 21.9 1.0 OD2 B:ASP102 5.0 58.3 1.0

Magnesium binding site 3 out of 3 in the X-Ray Structure of Thermoanaerobacterales Bacterium Monoamine Oxidase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of X-Ray Structure of Thermoanaerobacterales Bacterium Monoamine Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg503 b:15.1 occ:1.00 OE1 B:GLU127 2.0 16.8 1.0 O B:HOH724 2.0 18.1 1.0 O B:HOH828 2.0 19.9 1.0 O B:HOH727 2.1 17.9 1.0 NE2 B:HIS190 2.2 13.5 1.0 CD B:GLU127 3.0 14.6 1.0 CD2 B:HIS190 3.2 14.4 1.0 CE1 B:HIS190 3.2 12.8 1.0 OE2 B:GLU127 3.4 17.3 1.0 O B:HOH913 4.1 30.8 1.0 O B:HOH691 4.2 21.4 1.0 CG B:GLU127 4.3 15.8 1.0 CG B:HIS190 4.3 13.5 1.0 ND1 B:HIS190 4.3 14.3 1.0

L.L.Santema, L.Basile, C.Binda, M.W.Fraaije. Discovery and Structural Characterization of A Thermostable Bacterial Monoamine Oxidase. Febs J. 2023.
ISSN: ISSN 1742-464X
PubMed: 37814408
DOI: 10.1111/FEBS.16973