Magnesium in PDB 8g7h: Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxypropan-2-Yl)Phosphonic Acid

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxypropan-2-Yl)Phosphonic Acid, PDB code: 8g7h 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)	48.79 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.233, 68.21, 69.826, 90, 90, 90
R / Rfree (%)	15.4 / 18.5

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxypropan-2-Yl)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- Hydroxypropan-2-Yl)Phosphonic Acid (pdb code 8g7h). 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- Hydroxypropan-2-Yl)Phosphonic Acid, PDB code: 8g7h:
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- Hydroxypropan-2-Yl)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- Hydroxypropan-2-Yl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg207 b:37.8 occ:1.00 O B:HOH303 1.8 34.1 1.0 O A:HOH409 2.0 37.1 1.0 O A:HOH310 2.2 30.9 1.0 O B:HOH405 2.4 38.6 1.0 OE2 B:GLU72 3.6 33.3 1.0 OD1 A:ASN3 3.9 17.8 1.0 ND2 A:ASN3 4.1 17.8 1.0 O B:HOH309 4.1 22.9 1.0 OD2 B:ASP75 4.2 21.9 1.0 CG A:ASN3 4.5 17.0 1.0 CA A:MET1 4.5 20.1 1.0 CD B:GLU72 4.6 33.4 1.0 O A:MET1 4.7 19.5 1.0 C A:MET1 4.9 21.6 1.0 CG B:GLU72 5.0 24.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxypropan-2-Yl)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- Hydroxypropan-2-Yl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg207 b:33.0 occ:1.00 O B:HOH418 1.8 43.2 1.0 O B:HOH436 2.0 43.5 1.0 O B:HOH321 2.1 29.0 1.0 O B:HOH308 2.2 39.2 1.0 O B:HOH315 2.2 30.0 1.0 O B:ARG35 4.1 19.7 1.0 OE2 B:GLU16 4.1 34.5 1.0 OE1 B:GLU16 4.2 30.0 1.0 OE1 B:GLU51 4.2 15.9 1.0 OE2 B:GLU51 4.3 15.9 1.0 CD B:GLU16 4.5 30.4 1.0 CD B:GLU51 4.7 15.9 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