Calcium in PDB 5xdu: Staphylococcus Aureus Ftsz 12-316 Complexed with TXA6101

The structure of Staphylococcus Aureus Ftsz 12-316 Complexed with TXA6101, PDB code: 5xdu was solved by J.Fujita, Y.Maeda, E.Mizohata, T.Inoue, M.Kaul, A.K.Parhi, E.J.Lavoie, D.S.Pilch, H.Matsumura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.90 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.759, 51.574, 86.661, 90.00, 108.75, 90.00
R / Rfree (%)	20.1 / 23.9

The structure of Staphylococcus Aureus Ftsz 12-316 Complexed with TXA6101 also contains other interesting chemical elements:

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

The binding sites of Calcium atom in the Staphylococcus Aureus Ftsz 12-316 Complexed with TXA6101 (pdb code 5xdu). 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 TXA6101, PDB code: 5xdu:

Calcium binding site 1 out of 1 in the Staphylococcus Aureus Ftsz 12-316 Complexed with TXA6101


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 TXA6101 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca402 b:25.8 occ:1.00 O A:VAL203 2.4 29.0 1.0 O A:LEU200 2.5 25.4 1.0 O A:LEU209 2.5 21.8 1.0 OD1 A:ASN208 2.6 24.5 1.0 O A:HOH640 2.8 44.1 1.0 O1 A:ZI6403 2.8 28.3 1.0 CG A:ASN208 3.5 25.9 1.0 C A:VAL203 3.6 34.7 1.0 C A:LEU200 3.6 28.5 1.0 ND2 A:ASN208 3.7 27.3 1.0 C A:LEU209 3.7 23.1 1.0 C1 A:ZI6403 3.8 28.3 1.0 F1 A:ZI6403 4.0 29.9 1.0 N A:GLY205 4.0 29.6 1.0 C2 A:ZI6403 4.1 28.4 1.0 N A:LEU209 4.1 23.4 1.0 CA A:LEU200 4.2 27.6 1.0 CA A:SER204 4.2 37.1 1.0 C7 A:ZI6403 4.2 28.8 1.0 N A:SER204 4.4 36.8 1.0 CA A:LEU209 4.5 22.2 1.0 C A:SER204 4.6 34.1 1.0 CG A:LEU200 4.7 30.3 1.0 N A:VAL203 4.7 33.8 1.0 N A:ASP210 4.7 24.5 1.0 CA A:VAL203 4.7 35.2 1.0 CB A:ASN208 4.8 26.2 1.0 N A:ILE201 4.8 28.1 1.0 CD2 A:LEU200 4.8 30.1 1.0 CA A:ASP210 4.8 25.3 1.0 CA A:ASN208 4.9 25.0 1.0 C A:ASN208 4.9 24.8 1.0 O A:ASP199 4.9 27.5 1.0 CA A:GLY205 5.0 29.0 1.0 C3 A:ZI6403 5.0 27.9 1.0 N1 A:ZI6403 5.0 27.1 1.0

J.Fujita, Y.Maeda, E.Mizohata, T.Inoue, M.Kaul, A.K.Parhi, E.J.Lavoie, D.S.Pilch, H.Matsumura. Structural Flexibility of An Inhibitor Overcomes Drug Resistance Mutations in Staphylococcus Aureus Ftsz Acs Chem. Biol. V. 12 1947 2017.
ISSN: ESSN 1554-8937
PubMed: 28621933
DOI: 10.1021/ACSCHEMBIO.7B00323