Magnesium in PDB 8g7g: Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid, PDB code: 8g7g was solved by S.Travis, A.H.Pang, O.V.Tsodikov, S.Garneau-Tsodikova, M.K.Thompson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.19 / 2.23
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.234, 68.534, 69.541, 90, 90, 90
R / Rfree (%)	17.7 / 24.6

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid (pdb code 8g7g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid, PDB code: 8g7g:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg204 b:48.5 occ:1.00 O B:HOH310 2.1 35.2 1.0 O B:HOH378 2.3 40.5 1.0 O A:HOH312 2.3 29.6 1.0 OE1 B:GLU72 3.7 31.4 1.0 OD1 A:ASN3 4.2 22.0 1.0 ND2 A:ASN3 4.4 21.1 1.0 O B:HOH303 4.6 21.3 1.0 OD2 B:ASP75 4.7 28.3 1.0 CG A:ASN3 4.8 21.4 1.0 O A:HOH313 4.8 39.4 1.0 CD B:GLU72 4.9 31.6 1.0 CA A:MET1 5.0 24.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg203 b:30.2 occ:1.00 O B:HOH308 2.0 34.7 1.0 O B:HOH381 2.0 33.8 1.0 O B:HOH321 2.2 30.8 1.0 O B:HOH319 2.4 23.2 1.0 O B:ARG35 3.9 25.0 1.0 OE2 B:GLU16 4.2 34.8 1.0 OE2 B:GLU51 4.3 15.7 1.0 OE1 B:GLU16 4.3 27.9 1.0 OE1 B:GLU51 4.4 20.2 1.0 CD B:GLU16 4.7 30.1 1.0 CD B:GLU51 4.7 17.1 1.0 C B:ARG35 5.0 25.9 1.0

S.Travis, K.D.Green, N.Thamban Chandrika, A.H.Pang, P.A.Frantom, O.V.Tsodikov, S.Garneau-Tsodikova, M.K.Thompson. Identification and Analysis of Small Molecule Inhibitors of Fosb From Staphylococcus Aureus. Rsc Med Chem V. 14 947 2023.
ISSN: ESSN 2632-8682
PubMed: 37252104
DOI: 10.1039/D3MD00113J