Fluorine in PDB 4z2d: Quinolone(Levofloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae

All present enzymatic activity of Quinolone(Levofloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae:
5.99.1.3;

The structure of Quinolone(Levofloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae, PDB code: 4z2d was solved by I.Laponogov, D.A.Veselkov, X.-S.Pan, J.Selvarajah, I.M.-T.Crevel, L.M.Fisher, M.R.Sanderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.54 / 3.38
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	94.130, 95.880, 275.440, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 28

The structure of Quinolone(Levofloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Quinolone(Levofloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae (pdb code 4z2d). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Quinolone(Levofloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae, PDB code: 4z2d:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Quinolone(Levofloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Quinolone(Levofloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ F:F102 b:0.1 occ:1.00 F F:LFX102 0.0 0.1 1.0 C11 F:LFX102 1.4 0.9 1.0 C13 F:LFX102 2.3 0.7 1.0 C04 F:LFX102 2.4 0.7 1.0 H01 F:LFX102 2.5 0.3 1.0 H13 F:LFX102 2.5 0.2 1.0 N7 H:DA5 2.6 0.2 1.0 H01A F:LFX102 2.7 0.3 1.0 N01 F:LFX102 2.8 0.0 1.0 C01 F:LFX102 2.8 0.4 1.0 N3 H:DC4 3.0 0.8 1.0 C5 H:DA5 3.1 1.0 1.0 C2 H:DC4 3.1 0.7 1.0 C8 H:DA5 3.2 0.1 1.0 C4 H:DC4 3.3 0.0 1.0 N1 H:DC4 3.5 0.9 1.0 O2 H:DC4 3.6 0.9 1.0 C06 F:LFX102 3.6 0.1 1.0 C10 F:LFX102 3.6 0.1 1.0 C6 H:DA5 3.6 0.6 1.0 C5 H:DC4 3.7 1.0 1.0 N2 F:DG1 3.8 0.8 1.0 C6 H:DC4 3.8 0.1 1.0 H02A F:LFX102 3.8 0.3 1.0 C4 H:DA5 3.8 0.8 1.0 N9 H:DA5 3.8 0.1 1.0 N6 H:DA5 3.8 97.2 1.0 C02 F:LFX102 3.9 0.9 1.0 N4 H:DC4 3.9 0.8 1.0 C05 F:LFX102 4.1 0.4 1.0 C2' H:DC4 4.3 0.8 1.0 C07 F:LFX102 4.3 0.7 1.0 H02 F:LFX102 4.3 0.3 1.0 C1' H:DC4 4.4 0.8 1.0 C2 F:DG1 4.4 0.6 1.0 N1 F:DG1 4.6 0.4 1.0 N1 H:DA5 4.6 0.4 1.0 H07A F:LFX102 4.7 0.8 1.0 O01 F:LFX102 4.7 0.3 1.0 N3 H:DA5 4.8 0.3 1.0 O4' H:DA5 4.8 0.7 1.0 H07 F:LFX102 4.8 0.8 1.0 C15 F:LFX102 4.9 0.0 1.0 C1' H:DA5 4.9 0.1 1.0 N F:LFX102 5.0 0.0 1.0

Fluorine binding site 2 out of 2 in the Quinolone(Levofloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Quinolone(Levofloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ H:F101 b:0.7 occ:1.00 F H:LFX101 0.0 0.7 1.0 C11 H:LFX101 1.4 0.6 1.0 C13 H:LFX101 2.3 0.1 1.0 C04 H:LFX101 2.4 0.3 1.0 H01 H:LFX101 2.5 0.3 1.0 H13 H:LFX101 2.5 0.1 1.0 H01A H:LFX101 2.7 0.3 1.0 C01 H:LFX101 2.8 0.6 1.0 N01 H:LFX101 2.8 0.7 1.0 N7 F:DA5 2.9 0.1 1.0 C5 F:DA5 3.0 0.8 1.0 C6 F:DA5 3.4 0.3 1.0 C2 F:DC4 3.4 0.3 1.0 N1 F:DC4 3.5 0.3 1.0 C8 F:DA5 3.5 0.7 1.0 N3 F:DC4 3.5 0.0 1.0 C6 F:DC4 3.6 0.7 1.0 C06 H:LFX101 3.6 0.1 1.0 C10 H:LFX101 3.6 0.6 1.0 N6 F:DA5 3.7 0.4 1.0 C4 F:DC4 3.7 0.8 1.0 C4 F:DA5 3.7 0.6 1.0 C5 F:DC4 3.7 0.8 1.0 H02A H:LFX101 3.8 0.2 1.0 C02 H:LFX101 3.9 0.6 1.0 N9 F:DA5 3.9 0.8 1.0 O2 F:DC4 4.0 0.7 1.0 C2' F:DC4 4.0 0.8 1.0 C05 H:LFX101 4.1 0.8 1.0 C1' F:DC4 4.2 0.8 1.0 C07 H:LFX101 4.3 0.7 1.0 N1 F:DA5 4.3 99.9 1.0 N2 H:DG1 4.3 0.7 1.0 H02 H:LFX101 4.4 0.2 1.0 N4 F:DC4 4.4 0.9 1.0 N3 F:DA5 4.5 0.8 1.0 H07A H:LFX101 4.6 0.9 1.0 C2 F:DA5 4.7 0.9 1.0 O01 H:LFX101 4.7 0.3 1.0 H07 H:LFX101 4.8 0.9 1.0 C2 H:DG1 4.8 0.5 1.0 O4' F:DA5 4.8 0.3 1.0 N1 H:DG1 4.8 0.1 1.0 C15 H:LFX101 4.9 0.9 1.0 N H:LFX101 4.9 0.4 1.0

I.Laponogov, D.A.Veselkov, X.-S.Pan, J.Selvarajah, I.M.-T.Crevel, L.M.Fisher, M.R.Sanderson. Structural Studies of the Drug-Stabilized Cleavage Complexes of Topoisomerase IV and Gyrase From Streptococcus Pneumoniae To Be Published.