Calcium in PDB 8v9h: Ges-5-Na-1-157 Complex

The structure of Ges-5-Na-1-157 Complex, PDB code: 8v9h 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)	38.50 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.727, 80.381, 87.706, 90, 90, 90
R / Rfree (%)	16 / 19.2

The structure of Ges-5-Na-1-157 Complex also contains other interesting chemical elements:

Chlorine	(Cl)	7 atoms
Iodine	(I)	3 atoms

The binding sites of Calcium atom in the Ges-5-Na-1-157 Complex (pdb code 8v9h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Ges-5-Na-1-157 Complex, PDB code: 8v9h:

Calcium binding site 1 out of 1 in the Ges-5-Na-1-157 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ges-5-Na-1-157 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:15.9 occ:1.00 OD1 A:ASP94 2.1 26.3 1.0 CG A:ASP94 2.8 26.6 1.0 CB A:ASP94 3.2 23.5 1.0 N A:ASP94 3.3 19.0 1.0 N A:PRO93 3.7 15.4 1.0 CD A:PRO93 3.7 16.2 1.0 C A:GLY92 3.8 15.2 1.0 CA A:GLY92 3.8 14.3 1.0 CA A:ASP94 3.8 21.1 1.0 OD2 A:ASP94 3.9 28.2 1.0 CG A:PRO93 4.3 18.3 1.0 C A:PRO93 4.3 18.0 1.0 O A:GLY92 4.4 16.7 1.0 CA A:PRO93 4.5 16.4 1.0 N A:GLY92 4.5 14.3 1.0 CB A:PRO93 4.9 16.6 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