Calcium in PDB 8htb: Staphylococcus Aureus Ftsz 12-316 Complexed with TXH9179

The structure of Staphylococcus Aureus Ftsz 12-316 Complexed with TXH9179, PDB code: 8htb was solved by E.Bryan, E.Ferrer-Gonzalez, H.Y.Sagong, J.Fujita, L.Mark, M.Kaul, E.J.Lavoie, H.Matsumura, D.S.Pilch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.05 / 1.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.445, 51.54, 86.292, 90, 108.33, 90
R / Rfree (%)	15.5 / 18.6

The structure of Staphylococcus Aureus Ftsz 12-316 Complexed with TXH9179 also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Calcium atom in the Staphylococcus Aureus Ftsz 12-316 Complexed with TXH9179 (pdb code 8htb). 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 Staphylococcus Aureus Ftsz 12-316 Complexed with TXH9179, PDB code: 8htb:

Calcium binding site 1 out of 1 in the Staphylococcus Aureus Ftsz 12-316 Complexed with TXH9179


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Staphylococcus Aureus Ftsz 12-316 Complexed with TXH9179 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:17.9 occ:1.00 O A:VAL203 2.5 26.8 1.0 O A:LEU209 2.5 17.8 1.0 O A:LEU200 2.6 18.4 1.0 OD1 A:ASN208 2.8 17.6 1.0 O1 A:ZI9403 2.8 16.4 1.0 O A:HOH745 2.9 41.1 1.0 CG A:ASN208 3.6 17.9 1.0 F2 A:ZI9403 3.6 22.8 1.0 C A:VAL203 3.7 25.6 1.0 C1 A:ZI9403 3.7 16.8 1.0 C A:LEU200 3.7 16.8 1.0 C A:LEU209 3.7 16.1 1.0 ND2 A:ASN208 3.9 19.9 1.0 C7 A:ZI9403 3.9 19.6 1.0 C2 A:ZI9403 4.0 18.0 1.0 N A:LEU209 4.1 15.5 1.0 N A:GLY205 4.2 17.5 1.0 CA A:SER204 4.3 24.4 0.7 CA A:SER204 4.3 24.0 0.3 CA A:LEU200 4.4 16.5 1.0 N A:SER204 4.5 25.1 1.0 CA A:LEU209 4.5 16.1 1.0 CG A:LEU200 4.6 18.1 1.0 C A:SER204 4.7 22.3 1.0 N A:VAL203 4.7 25.2 1.0 CD2 A:LEU200 4.7 19.6 1.0 N A:ASP210 4.7 15.6 1.0 CA A:VAL203 4.8 26.2 1.0 N A:ILE201 4.8 18.8 1.0 CA A:ASP210 4.8 16.1 1.0 CB A:ASN208 4.8 16.9 1.0 C6 A:ZI9403 4.8 22.1 1.0 C3 A:ZI9403 4.9 19.1 1.0 CA A:ASN208 4.9 15.9 1.0 N1 A:ZI9403 4.9 16.9 1.0 CA A:ILE201 4.9 21.4 0.2 C A:ASN208 4.9 15.8 1.0 CA A:ILE201 5.0 20.5 0.8 C A:ILE201 5.0 20.5 1.0

E.Bryan, E.Ferrer-Gonzalez, H.Y.Sagong, J.Fujita, L.Mark, M.Kaul, E.J.Lavoie, H.Matsumura, D.S.Pilch. Structural and Antibacterial Characterization of A New Benzamide Ftsz Inhibitor with Superior Bactericidal Activity and in Vivo Efficacy Against Multidrug-Resistant Staphylococcus Aureus. Acs Chem.Biol. V. 18 629 2023.
ISSN: ESSN 1554-8937
PubMed: 36854145
DOI: 10.1021/ACSCHEMBIO.2C00934