Magnesium in PDB 8sm8: Air-Oxidized A. Ca Truffo Expressed From M9 Minimal Medium Supplemented with Fe

The structure of Air-Oxidized A. Ca Truffo Expressed From M9 Minimal Medium Supplemented with Fe, PDB code: 8sm8 was solved by C.Liu, J.Rittle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.41 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.93, 154.82, 74.95, 90, 104.93, 90
R / Rfree (%)	19.2 / 25.2

The structure of Air-Oxidized A. Ca Truffo Expressed From M9 Minimal Medium Supplemented with Fe also contains other interesting chemical elements:

Iron

(Fe)

8 atoms

The binding sites of Magnesium atom in the Air-Oxidized A. Ca Truffo Expressed From M9 Minimal Medium Supplemented with Fe (pdb code 8sm8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Air-Oxidized A. Ca Truffo Expressed From M9 Minimal Medium Supplemented with Fe, PDB code: 8sm8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Air-Oxidized A. Ca Truffo Expressed From M9 Minimal Medium Supplemented with Fe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Air-Oxidized A. Ca Truffo Expressed From M9 Minimal Medium Supplemented with Fe within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:26.8 occ:1.00 O A:ALA145 2.2 23.0 1.0 O A:HOH655 2.3 18.4 1.0 O A:HOH537 2.4 19.6 1.0 O A:ILE150 2.8 22.1 1.0 O A:HIS147 3.0 25.9 1.0 C A:ALA145 3.4 19.5 1.0 CD2 A:LEU180 3.8 13.8 1.0 NH1 A:ARG151 3.9 27.0 1.0 C A:ILE150 3.9 18.1 1.0 C A:HIS147 3.9 21.1 1.0 CA A:ALA145 4.0 17.5 1.0 O A:PRO148 4.3 22.7 1.0 CA A:PRO148 4.3 19.3 1.0 CB A:ILE150 4.3 21.3 1.0 N A:HIS147 4.4 28.1 1.0 CB A:ALA145 4.5 14.0 1.0 N A:ALA146 4.5 23.9 1.0 C A:PRO148 4.5 23.7 1.0 N A:PRO148 4.5 26.9 1.0 CA A:ILE150 4.6 21.3 1.0 N A:ILE150 4.7 16.2 1.0 C A:ALA146 4.7 28.6 1.0 O A:ASN178 4.8 16.3 1.0 CA A:ALA146 4.8 28.9 1.0 CA A:HIS147 4.8 19.9 1.0 CG2 A:ILE150 4.9 20.5 1.0 N A:ARG151 5.0 17.4 1.0 CG A:LEU180 5.0 19.0 1.0

Magnesium binding site 2 out of 2 in the Air-Oxidized A. Ca Truffo Expressed From M9 Minimal Medium Supplemented with Fe


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Air-Oxidized A. Ca Truffo Expressed From M9 Minimal Medium Supplemented with Fe within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:32.7 occ:1.00 O G:HOH653 2.2 21.5 1.0 O A:PHE314 2.3 17.8 1.0 O A:HOH647 2.7 28.0 1.0 O A:HOH503 2.9 14.8 1.0 C A:PHE314 3.3 20.2 1.0 C A:ASP313 3.4 13.7 1.0 O A:ASP313 3.4 15.6 1.0 CA A:ASP313 3.7 14.2 1.0 OD1 A:ASP315 3.8 19.8 1.0 N A:PHE314 3.9 16.7 1.0 N A:ASP315 4.2 17.0 1.0 CA A:PHE314 4.2 17.7 1.0 CB A:ASP313 4.3 17.3 1.0 NH2 G:ARG251 4.4 41.3 1.0 CA A:ASP315 4.4 16.4 1.0 O A:PHE312 4.6 17.2 1.0 CG A:ASP315 4.8 21.3 1.0 N A:ASP313 4.9 18.4 1.0 CG2 A:THR282 4.9 13.1 1.0

C.Liu, M.M.Powell, G.Rao, R.D.Britt, J.Rittle. Bioinformatic Discovery of A Cambialistic Monooxygenase. J.Am.Chem.Soc. V. 146 1783 2024.
ISSN: ESSN 1520-5126
PubMed: 38198693
DOI: 10.1021/JACS.3C12131