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

Protein crystallography data

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

Other elements in 5xdv:

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

Bromine (Br) 1 atom
Calcium (Ca) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101, PDB code: 5xdv:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in 5xdv

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Fluorine binding site 1 out of 5 in the Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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:F403

b:28.1
occ:1.00
 F4 A:ZI6403 0.0 28.1 1.0
C18 A:ZI6403 1.3 29.2 1.0
F3 A:ZI6403 2.0 28.0 1.0
F5 A:ZI6403 2.2 29.3 1.0
C15 A:ZI6403 2.3 27.4 1.0
C16 A:ZI6403 2.7 26.3 1.0
C14 A:ZI6403 3.5 28.5 1.0
CE2 A:PHE100 3.6 25.9 1.0
CA A:GLY193 3.7 26.9 1.0
C17 A:ZI6403 4.1 27.2 1.0
C A:GLY193 4.2 26.0 1.0
CZ A:PHE100 4.2 24.4 1.0
CD1 A:ILE162 4.2 27.2 1.0
O A:GLY193 4.3 24.1 1.0
CG A:MET226 4.4 36.8 1.0
SD A:MET226 4.5 44.2 1.0
C13 A:ZI6403 4.7 27.0 1.0
CD2 A:PHE100 4.7 22.9 1.0
CG1 A:ILE197 4.8 26.2 0.5
CG1 A:VAL129 4.8 20.8 1.0
C12 A:ZI6403 4.9 27.6 1.0
CD1 A:ILE311 5.0 31.8 1.0
CE A:MET218 5.0 31.1 1.0
CE A:MET226 5.0 44.8 1.0

Fluorine binding site 2 out of 5 in 5xdv

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Fluorine binding site 2 out of 5 in the Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F403

b:29.3
occ:1.00
 F5 A:ZI6403 0.0 29.3 1.0
C18 A:ZI6403 1.3 29.2 1.0
F3 A:ZI6403 2.2 28.0 1.0
F4 A:ZI6403 2.2 28.1 1.0
C15 A:ZI6403 2.3 27.4 1.0
C16 A:ZI6403 3.1 26.3 1.0
C14 A:ZI6403 3.2 28.5 1.0
CE A:MET98 3.4 25.5 1.0
CE2 A:PHE100 3.5 25.9 1.0
CE A:MET218 3.5 31.1 1.0
CZ A:PHE100 3.6 24.4 1.0
SD A:MET218 3.8 27.8 1.0
CG1 A:ILE197 3.9 26.2 0.5
CG2 A:VAL129 4.0 22.6 1.0
CD1 A:ILE197 4.1 27.0 0.5
CG1 A:VAL129 4.3 20.8 1.0
C17 A:ZI6403 4.4 27.2 1.0
C13 A:ZI6403 4.4 27.0 1.0
CB A:VAL129 4.6 21.6 1.0
CD2 A:PHE100 4.6 22.9 1.0
SD A:MET98 4.9 24.7 1.0
C12 A:ZI6403 4.9 27.6 1.0
CE1 A:PHE100 4.9 25.1 1.0
CD1 A:ILE311 4.9 31.8 1.0

Fluorine binding site 3 out of 5 in 5xdv

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Fluorine binding site 3 out of 5 in the Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F403

b:28.0
occ:1.00
 F3 A:ZI6403 0.0 28.0 1.0
C18 A:ZI6403 1.3 29.2 1.0
F4 A:ZI6403 2.0 28.1 1.0
F5 A:ZI6403 2.2 29.3 1.0
C15 A:ZI6403 2.3 27.4 1.0
C14 A:ZI6403 2.8 28.5 1.0
CD1 A:ILE311 3.1 31.8 1.0
CE A:MET218 3.3 31.1 1.0
C16 A:ZI6403 3.5 26.3 1.0
CD1 A:ILE162 3.9 27.2 1.0
SD A:MET218 4.0 27.8 1.0
CG A:MET226 4.2 36.8 1.0
C13 A:ZI6403 4.2 27.0 1.0
CG1 A:VAL129 4.4 20.8 1.0
CG1 A:ILE311 4.5 30.7 1.0
CB A:MET226 4.5 31.2 1.0
C17 A:ZI6403 4.7 27.2 1.0
CB A:ILE311 4.8 27.4 1.0
CE2 A:PHE100 4.9 25.9 1.0
CG1 A:ILE162 5.0 23.8 1.0
C12 A:ZI6403 5.0 27.6 1.0
CG2 A:VAL129 5.0 22.6 1.0

Fluorine binding site 4 out of 5 in 5xdv

Go back to Fluorine Binding Sites List in 5xdv
Fluorine binding site 4 out of 5 in the Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F403

b:23.4
occ:1.00
 F2 A:ZI6403 0.0 23.4 1.0
C3 A:ZI6403 1.3 21.3 1.0
C2 A:ZI6403 2.4 23.0 1.0
C4 A:ZI6403 2.4 22.6 1.0
O2 A:ZI6403 2.6 24.8 1.0
C1 A:ZI6403 2.8 23.0 1.0
N1 A:ZI6403 3.0 21.4 1.0
OD1 A:ASN263 3.0 22.4 1.0
CD1 A:LEU209 3.1 26.6 1.0
CG A:ASN263 3.2 23.0 1.0
CB A:ASN263 3.3 21.5 1.0
CB A:LEU209 3.5 23.5 1.0
CG A:LEU209 3.5 24.5 1.0
O1 A:ZI6403 3.7 23.5 1.0
C5 A:ZI6403 3.7 22.7 1.0
C7 A:ZI6403 3.7 23.9 1.0
CD1 A:LEU200 3.7 25.6 1.0
CG A:LEU200 3.9 22.9 1.0
C8 A:ZI6403 4.0 25.4 1.0
ND2 A:ASN263 4.1 23.8 1.0
C6 A:ZI6403 4.2 22.4 1.0
O3 A:ZI6403 4.3 27.4 1.0
CB A:LEU200 4.4 22.9 1.0
C9 A:ZI6403 4.5 25.9 1.0
CA A:ASN263 4.6 20.7 1.0
CA A:LEU209 4.6 22.2 1.0
N A:LEU209 4.7 19.8 1.0
F1 A:ZI6403 4.8 26.2 1.0
CA A:LEU200 4.8 22.7 1.0
O A:LEU209 4.9 21.6 1.0
CA A:GLY295 5.0 21.1 1.0
CD2 A:LEU209 5.0 25.3 1.0

Fluorine binding site 5 out of 5 in 5xdv

Go back to Fluorine Binding Sites List in 5xdv
Fluorine binding site 5 out of 5 in the Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Staphylococcus Aureus Ftsz 12-316 G196S Complexed with TXA6101 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F403

b:26.2
occ:1.00
 F1 A:ZI6403 0.0 26.2 1.0
C7 A:ZI6403 1.3 23.9 1.0
C2 A:ZI6403 2.4 23.0 1.0
C6 A:ZI6403 2.4 22.4 1.0
C1 A:ZI6403 2.9 23.0 1.0
O1 A:ZI6403 3.1 23.5 1.0
CG1 A:VAL203 3.2 35.0 1.0
CB A:VAL203 3.4 33.8 1.0
O A:VAL203 3.5 27.6 1.0
C3 A:ZI6403 3.7 21.3 1.0
C5 A:ZI6403 3.7 22.7 1.0
CB A:VAL297 3.8 29.1 1.0
N1 A:ZI6403 3.8 21.4 1.0
CA A:GLY205 3.8 22.6 1.0
C A:VAL203 3.8 31.9 1.0
N A:GLY205 3.9 22.7 1.0
CG1 A:VAL297 4.0 30.6 1.0
CA A:CA402 4.0 23.1 1.0
CG2 A:VAL297 4.1 31.1 1.0
C4 A:ZI6403 4.2 22.6 1.0
CA A:VAL203 4.2 31.1 1.0
C A:SER204 4.3 27.4 1.0
O A:ASP199 4.4 23.9 1.0
N A:SER204 4.5 29.5 1.0
CG2 A:VAL203 4.6 33.0 1.0
O A:SER204 4.6 31.1 1.0
F2 A:ZI6403 4.8 23.4 1.0
O A:LEU200 4.9 23.4 1.0
CA A:SER204 4.9 31.0 1.0
OD1 A:ASN208 4.9 22.0 1.0
N A:VAL203 4.9 29.5 1.0
CA A:LEU200 5.0 22.7 1.0

Reference:

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
Page generated: Tue Jul 15 09:09:33 2025

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