Magnesium in PDB 8v9g: Ges-5-Meropenem Complex

The structure of Ges-5-Meropenem Complex, PDB code: 8v9g was solved by C.A.Smith, N.K.Stewart, S.B.Vakulenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.90 / 1.62
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.829, 80.581, 87.327, 90, 90, 90
R / Rfree (%)	17.3 / 21.8

The structure of Ges-5-Meropenem Complex also contains other interesting chemical elements:

Iodine

(I)

4 atoms

The binding sites of Magnesium atom in the Ges-5-Meropenem Complex (pdb code 8v9g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Ges-5-Meropenem Complex, PDB code: 8v9g:

Magnesium binding site 1 out of 1 in the Ges-5-Meropenem Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ges-5-Meropenem Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:15.5 occ:1.00 OD1 A:ASP94 1.8 27.5 1.0 CG A:ASP94 2.7 28.4 1.0 CB A:ASP94 3.1 25.4 1.0 N A:ASP94 3.2 18.7 1.0 N A:PRO93 3.7 16.7 1.0 CD A:PRO93 3.7 17.5 1.0 CA A:ASP94 3.8 22.4 1.0 C A:GLY92 3.8 16.7 1.0 OD2 A:ASP94 3.8 29.4 1.0 CA A:GLY92 3.9 15.9 1.0 CG A:PRO93 4.2 18.7 1.0 C A:PRO93 4.2 19.7 1.0 CA A:PRO93 4.5 18.4 1.0 O A:GLY92 4.5 15.8 1.0 N A:GLY92 4.6 16.9 1.0 CB A:PRO93 4.8 18.4 1.0 C A:ASP94 5.0 22.0 1.0

N.K.Stewart, M.Toth, P.Quan, M.Beer, J.D.Buynak, C.A.Smith, S.B.Vakulenko. Restricted Rotational Flexibility of the C5 Alpha-Methyl-Substituted Carbapenem Na-1-157 Leads to Potent Inhibition of the Ges-5 Carbapenemase. Acs Infect Dis. 2024.
ISSN: ESSN 2373-8227
PubMed: 38511828
DOI: 10.1021/ACSINFECDIS.3C00683