Fluorine in PDB 4z2c: Quinolone(Moxifloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae

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

The structure of Quinolone(Moxifloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae, PDB code: 4z2c 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)	64.25 / 3.19
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	92.030, 94.950, 274.290, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 26.8

The structure of Quinolone(Moxifloxacin)-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(Moxifloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae (pdb code 4z2c). 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(Moxifloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae, PDB code: 4z2c:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Quinolone(Moxifloxacin)-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(Moxifloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ F:F101 b:0.5 occ:1.00 F F:MFX101 0.0 0.5 1.0 C15 F:MFX101 1.5 0.8 1.0 C17 F:MFX101 2.4 0.6 1.0 C11 F:MFX101 2.5 0.7 1.0 N01 F:MFX101 2.8 0.5 1.0 N7 H:DA5 2.9 0.9 1.0 C2 H:DC4 3.0 0.7 1.0 N3 H:DC4 3.0 0.8 1.0 C04 F:MFX101 3.1 0.4 1.0 C8 H:DA5 3.3 0.2 1.0 C5 H:DA5 3.4 0.4 1.0 C4 H:DC4 3.4 0.8 1.0 N1 H:DC4 3.4 0.7 1.0 O2 H:DC4 3.4 0.1 1.0 N2 F:DG1 3.7 0.4 1.0 C14 F:MFX101 3.7 0.8 1.0 C6 H:DC4 3.8 0.8 1.0 C5 H:DC4 3.8 0.1 1.0 C13 F:MFX101 3.8 0.6 1.0 C03 F:MFX101 3.9 0.9 1.0 N9 H:DA5 4.0 0.0 1.0 C6 H:DA5 4.0 0.6 1.0 C2' H:DC4 4.1 0.6 1.0 C4 H:DA5 4.1 0.2 1.0 N4 H:DC4 4.1 0.3 1.0 N6 H:DA5 4.2 0.3 1.0 C1' H:DC4 4.3 0.4 1.0 C02 F:MFX101 4.3 0.1 1.0 C2 F:DG1 4.3 1.0 1.0 C12 F:MFX101 4.4 0.2 1.0 N1 F:DG1 4.4 0.9 1.0 C01 F:MFX101 4.5 0.9 1.0 C19 F:MFX101 4.8 0.2 1.0 O4' H:DA5 4.8 0.8 1.0 O02 F:MFX101 4.8 0.5 1.0 O01 F:MFX101 4.9 0.9 1.0

Fluorine binding site 2 out of 2 in the Quinolone(Moxifloxacin)-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(Moxifloxacin)-Dna Cleavage Complex of Gyrase From S. Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ H:F101 b:0.9 occ:1.00 F H:MFX101 0.0 0.9 1.0 C15 H:MFX101 1.4 0.1 1.0 C17 H:MFX101 2.5 0.8 1.0 C11 H:MFX101 2.5 0.8 1.0 N01 H:MFX101 2.8 0.8 1.0 N1 F:DC4 2.9 0.8 1.0 N7 F:DA5 3.0 1.0 1.0 C2 F:DC4 3.0 0.3 1.0 C6 F:DC4 3.0 0.5 1.0 C04 H:MFX101 3.2 0.3 1.0 N3 F:DC4 3.3 0.8 1.0 C5 F:DC4 3.3 0.3 1.0 C5 F:DA5 3.4 0.6 1.0 C4 F:DC4 3.4 0.1 1.0 C8 F:DA5 3.6 0.1 1.0 C1' F:DC4 3.6 0.5 1.0 O2 F:DC4 3.6 0.7 1.0 C2' F:DC4 3.7 0.2 1.0 C14 H:MFX101 3.8 0.4 1.0 N2 H:DG1 3.8 1.0 1.0 C13 H:MFX101 3.8 0.8 1.0 C6 F:DA5 3.8 0.4 1.0 C03 H:MFX101 3.9 0.3 1.0 N6 F:DA5 3.9 0.2 1.0 C4 F:DA5 4.1 0.0 1.0 C02 H:MFX101 4.1 0.4 1.0 N9 F:DA5 4.2 0.2 1.0 C12 H:MFX101 4.3 0.0 1.0 N4 F:DC4 4.3 0.1 1.0 C2 H:DG1 4.4 0.3 1.0 N1 H:DG1 4.5 0.6 1.0 C01 H:MFX101 4.6 93.6 1.0 N1 F:DA5 4.7 0.3 1.0 C19 H:MFX101 4.9 0.4 1.0 O01 H:MFX101 4.9 0.6 1.0 O4' F:DC4 4.9 0.6 1.0 O02 H:MFX101 4.9 0.1 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.