Calcium in PDB 6kvp: S. Aureus Ftsz in Complex with 3-(1-(5-Bromo-4-(4-(Trifluoromethyl) Phenyl)Oxazol-2-Yl)Ethoxy)-2,6-Difluorobenzamide (Compound 2)

The structure of S. Aureus Ftsz in Complex with 3-(1-(5-Bromo-4-(4-(Trifluoromethyl) Phenyl)Oxazol-2-Yl)Ethoxy)-2,6-Difluorobenzamide (Compound 2), PDB code: 6kvp was solved by E.Ferrer-Gonzalez, J.Fujita, T.Yoshizawa, J.M.Nelson, A.J.Pilch, E.Hillman, M.Ozawa, N.Kuroda, A.K.Parhi, 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)	41.09 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.491, 51.739, 86.737, 90.00, 108.65, 90.00
R / Rfree (%)	14.5 / 17.7

The structure of S. Aureus Ftsz in Complex with 3-(1-(5-Bromo-4-(4-(Trifluoromethyl) Phenyl)Oxazol-2-Yl)Ethoxy)-2,6-Difluorobenzamide (Compound 2) also contains other interesting chemical elements:

Fluorine	(F)	5 atoms
Bromine	(Br)	1 atom

The binding sites of Calcium atom in the S. Aureus Ftsz in Complex with 3-(1-(5-Bromo-4-(4-(Trifluoromethyl) Phenyl)Oxazol-2-Yl)Ethoxy)-2,6-Difluorobenzamide (Compound 2) (pdb code 6kvp). 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 S. Aureus Ftsz in Complex with 3-(1-(5-Bromo-4-(4-(Trifluoromethyl) Phenyl)Oxazol-2-Yl)Ethoxy)-2,6-Difluorobenzamide (Compound 2), PDB code: 6kvp:

Calcium binding site 1 out of 1 in the S. Aureus Ftsz in Complex with 3-(1-(5-Bromo-4-(4-(Trifluoromethyl) Phenyl)Oxazol-2-Yl)Ethoxy)-2,6-Difluorobenzamide (Compound 2)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of S. Aureus Ftsz in Complex with 3-(1-(5-Bromo-4-(4-(Trifluoromethyl) Phenyl)Oxazol-2-Yl)Ethoxy)-2,6-Difluorobenzamide (Compound 2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:15.7 occ:1.00 O A:LEU209 2.5 15.1 1.0 O A:VAL203 2.5 21.7 1.0 O A:LEU200 2.6 16.1 1.0 OD1 A:ASN208 2.7 16.4 1.0 O1 A:ZI1403 2.7 14.7 1.0 O A:HOH669 3.2 27.7 1.0 CG A:ASN208 3.5 14.7 1.0 C1 A:ZI1403 3.7 13.6 1.0 C A:LEU200 3.7 14.5 1.0 C A:LEU209 3.7 12.9 1.0 C A:VAL203 3.7 20.3 1.0 F2 A:ZI1403 3.7 16.4 1.0 ND2 A:ASN208 3.9 16.3 1.0 C2 A:ZI1403 4.0 13.7 1.0 C7 A:ZI1403 4.0 14.5 1.0 N A:LEU209 4.1 12.9 1.0 N A:GLY205 4.2 16.7 1.0 CA A:LEU200 4.2 14.0 1.0 CA A:SER204 4.3 21.9 0.5 CA A:SER204 4.4 22.9 0.5 N A:SER204 4.5 21.6 1.0 CA A:LEU209 4.5 12.7 1.0 CG A:LEU200 4.6 15.3 1.0 N A:ASP210 4.7 13.0 1.0 C A:SER204 4.7 21.9 1.0 CB A:ASN208 4.8 14.4 1.0 CA A:ASP210 4.8 14.3 1.0 N A:ILE201 4.8 14.3 1.0 CA A:VAL203 4.8 21.0 1.0 CD2 A:LEU200 4.8 15.9 1.0 N A:VAL203 4.8 20.5 1.0 C3 A:ZI1403 4.8 13.7 1.0 N1 A:ZI1403 4.9 13.3 1.0 CA A:ASN208 4.9 13.4 1.0 C6 A:ZI1403 4.9 15.4 1.0 C A:ASN208 4.9 13.3 1.0 O A:ASP199 4.9 15.9 1.0 CB A:LEU200 5.0 14.1 1.0

E.Ferrer-Gonzalez, J.Fujita, T.Yoshizawa, J.M.Nelson, A.J.Pilch, E.Hillman, M.Ozawa, N.Kuroda, H.M.Al-Tameemi, J.M.Boyd, E.J.Lavoie, H.Matsumura, D.S.Pilch. Structure-Guided Design of A Fluorescent Probe For the Visualization of Ftsz in Clinically Important Gram-Positive and Gram-Negative Bacterial Pathogens. Sci Rep V. 9 20092 2019.
ISSN: ESSN 2045-2322
PubMed: 31882782
DOI: 10.1038/S41598-019-56557-X