Magnesium in PDB 8e7q: Crystal Structure of Fosb From Bacillus Cereus with Zinc and 2- Phosphonopropionic Acid

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and 2- Phosphonopropionic Acid, PDB code: 8e7q was solved by S.Travis, 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)	38.83 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.314, 68.016, 69.802, 90, 90, 90
R / Rfree (%)	16.9 / 21.9

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and 2- Phosphonopropionic 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 2- Phosphonopropionic Acid (pdb code 8e7q). 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 2- Phosphonopropionic Acid, PDB code: 8e7q:
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 2- Phosphonopropionic 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 2- Phosphonopropionic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg203 b:38.0 occ:1.00 O B:HOH401 2.0 39.6 1.0 O A:HOH306 2.2 23.8 1.0 O B:HOH371 2.2 34.1 1.0 OE2 B:GLU72 3.3 32.6 1.0 OD1 A:ASN3 3.8 15.3 1.0 ND2 A:ASN3 4.0 16.8 1.0 O B:HOH307 4.0 21.2 1.0 OD2 B:ASP75 4.1 22.7 1.0 CG A:ASN3 4.3 16.2 1.0 CD B:GLU72 4.4 29.2 1.0 CA A:MET1 4.5 18.0 1.0 O A:MET1 4.6 15.9 1.0 CG B:GLU72 4.8 23.5 1.0 C A:MET1 4.8 17.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and 2- Phosphonopropionic 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 2- Phosphonopropionic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg204 b:31.7 occ:1.00 O B:HOH398 2.0 35.3 1.0 O B:HOH309 2.1 25.8 1.0 O B:HOH312 2.2 41.9 1.0 O B:HOH310 2.2 28.1 1.0 O B:ARG35 4.0 19.0 1.0 OE1 B:GLU51 4.2 13.9 1.0 OE1 B:GLU16 4.2 27.8 1.0 OE2 B:GLU16 4.3 32.4 1.0 OE2 B:GLU51 4.3 13.5 1.0 CD B:GLU16 4.6 27.0 1.0 CD B:GLU51 4.7 13.3 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