Bromine in PDB 5xdv: Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101

The structure of Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101, PDB code: 5xdv 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)	41.48 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.392, 50.443, 88.263, 90.00, 109.97, 90.00
R / Rfree (%)	17.3 / 20.6

The structure of Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101 also contains other interesting chemical elements:

Fluorine	(F)	5 atoms
Calcium	(Ca)	1 atom

The binding sites of Bromine atom in the Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101 (pdb code 5xdv). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101, PDB code: 5xdv:

Bromine binding site 1 out of 1 in the Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:29.5 occ:1.00 BR1 A:ZI6403 0.0 29.5 1.0 C11 A:ZI6403 2.0 26.2 1.0 O3 A:ZI6403 2.8 27.4 1.0 O A:LEU261 2.9 23.5 1.0 C10 A:ZI6403 3.1 27.7 1.0 N A:ILE311 3.6 23.9 1.0 C A:LEU261 3.6 23.1 1.0 C13 A:ZI6403 3.7 27.0 1.0 O A:THR309 3.7 20.2 1.0 C12 A:ZI6403 3.8 27.6 1.0 C A:VAL310 3.8 23.4 1.0 CB A:LEU261 3.8 24.3 1.0 CG A:LEU261 3.9 24.7 1.0 CG2 A:THR309 3.9 25.5 1.0 C A:THR309 3.9 21.8 1.0 CA A:VAL310 3.9 21.6 1.0 C9 A:ZI6403 3.9 25.9 1.0 CG2 A:ILE311 3.9 29.7 1.0 CD2 A:LEU261 4.0 27.7 1.0 N A:VAL310 4.0 19.9 1.0 N2 A:ZI6403 4.1 25.1 1.0 N A:MET262 4.2 21.2 1.0 CA A:MET262 4.3 22.4 1.0 CA A:LEU261 4.3 22.8 1.0 CB A:THR309 4.4 24.8 1.0 CB A:ILE311 4.5 27.4 1.0 N A:ASN263 4.5 21.2 1.0 O A:VAL310 4.6 22.1 1.0 CA A:ILE311 4.6 25.1 1.0 C A:MET262 4.7 21.3 1.0 CA A:THR309 4.8 23.5 1.0 C14 A:ZI6403 4.9 28.5 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