Fluorine in PDB 9ggq: E.Coli Gyrase Holocomplex with Cleaved Chirally Wrapped 217 Bp Dna Fragment and Moxifloxacin

All present enzymatic activity of E.Coli Gyrase Holocomplex with Cleaved Chirally Wrapped 217 Bp Dna Fragment and Moxifloxacin:
5.6.2.2;

The structure of E.Coli Gyrase Holocomplex with Cleaved Chirally Wrapped 217 Bp Dna Fragment and Moxifloxacin also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Fluorine atom in the E.Coli Gyrase Holocomplex with Cleaved Chirally Wrapped 217 Bp Dna Fragment and Moxifloxacin (pdb code 9ggq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the E.Coli Gyrase Holocomplex with Cleaved Chirally Wrapped 217 Bp Dna Fragment and Moxifloxacin, PDB code: 9ggq:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the E.Coli Gyrase Holocomplex with Cleaved Chirally Wrapped 217 Bp Dna Fragment and Moxifloxacin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of E.Coli Gyrase Holocomplex with Cleaved Chirally Wrapped 217 Bp Dna Fragment and Moxifloxacin within 5.0Å range: probe atom residue distance (Å) B Occ H:F201 b:104.9 occ:1.00 F H:MFX201 0.0 104.9 1.0 C15 H:MFX201 1.3 103.7 1.0 C17 H:MFX201 2.3 103.2 1.0 C11 H:MFX201 2.3 103.7 1.0 N01 H:MFX201 2.7 103.8 1.0 C04 H:MFX201 2.9 104.1 1.0 C4 H:DT5 3.1 42.7 1.0 C5 H:DT5 3.2 42.5 1.0 C2 H:DT4 3.3 42.0 1.0 N3 H:DT4 3.4 41.5 1.0 O4 H:DT5 3.5 43.2 1.0 N3 H:DT5 3.5 41.9 1.0 C6 H:DT5 3.6 42.7 1.0 O2 H:DT4 3.6 42.3 1.0 C14 H:MFX201 3.6 103.0 1.0 C13 H:MFX201 3.6 103.5 1.0 N1 H:DT4 3.7 41.9 1.0 C7 H:DT5 3.7 42.5 1.0 C02 H:MFX201 3.7 104.0 1.0 C4 H:DT4 3.9 41.1 1.0 C2 H:DT5 3.9 42.5 1.0 C03 H:MFX201 3.9 104.5 1.0 N1 H:DT5 3.9 42.4 1.0 C6 H:DT4 4.1 41.8 1.0 C12 H:MFX201 4.1 103.2 1.0 C5 H:DT4 4.2 41.3 1.0 C1' H:DT4 4.3 42.9 1.0 C2' H:DT4 4.4 43.7 1.0 C01 H:MFX201 4.4 104.3 1.0 N1 F:DA1 4.5 38.9 1.0 O4 H:DT4 4.5 41.2 1.0 O01 H:MFX201 4.7 103.5 1.0 O2 H:DT5 4.7 43.2 1.0 C2 F:DA1 4.8 39.0 1.0 C19 H:MFX201 4.8 103.2 1.0 O4' H:DT5 4.8 43.8 1.0 O02 H:MFX201 5.0 103.7 1.0 C1' H:DT5 5.0 42.7 1.0

Fluorine binding site 2 out of 2 in the E.Coli Gyrase Holocomplex with Cleaved Chirally Wrapped 217 Bp Dna Fragment and Moxifloxacin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of E.Coli Gyrase Holocomplex with Cleaved Chirally Wrapped 217 Bp Dna Fragment and Moxifloxacin within 5.0Å range: probe atom residue distance (Å) B Occ F:F201 b:41.0 occ:1.00 F F:MFX201 0.0 41.0 1.0 C15 F:MFX201 1.3 39.9 1.0 C17 F:MFX201 2.3 39.5 1.0 C11 F:MFX201 2.4 39.4 1.0 N01 F:MFX201 2.8 39.7 1.0 C04 F:MFX201 2.8 40.1 1.0 C2 F:DC4 3.0 42.3 1.0 N7 F:DA5 3.1 40.8 1.0 C5 F:DA5 3.1 40.4 1.0 O2 F:DC4 3.1 42.3 1.0 N3 F:DC4 3.2 42.2 1.0 C6 F:DA5 3.5 40.5 1.0 C8 F:DA5 3.5 41.4 1.0 N1 F:DC4 3.6 42.3 1.0 C14 F:MFX201 3.6 38.8 1.0 C13 F:MFX201 3.6 38.9 1.0 C4 F:DA5 3.6 40.6 1.0 C4 F:DC4 3.8 41.9 1.0 N6 F:DA5 3.9 40.7 1.0 N9 F:DA5 3.9 41.0 1.0 C03 F:MFX201 4.0 40.2 1.0 C12 F:MFX201 4.1 38.5 1.0 C6 F:DC4 4.1 42.1 1.0 C2' F:DC4 4.2 43.2 1.0 C1' F:DC4 4.2 43.0 1.0 C02 F:MFX201 4.2 39.8 1.0 C5 F:DC4 4.3 41.5 1.0 N1 F:DA5 4.3 40.2 1.0 N2 H:DG1 4.4 37.4 1.0 N3 F:DA5 4.4 40.8 1.0 N1 H:DG1 4.4 36.9 1.0 N4 F:DC4 4.5 41.9 1.0 C01 F:MFX201 4.5 40.1 1.0 C2 F:DA5 4.6 40.6 1.0 C2 H:DG1 4.7 37.2 1.0 O01 F:MFX201 4.7 39.1 1.0 C19 F:MFX201 4.8 38.9 1.0 O4' F:DA5 4.8 42.3 1.0 C1' F:DA5 4.9 41.5 1.0 O02 F:MFX201 4.9 39.9 1.0

E.Michalczyk, Z.Pakosz-Stepien, J.D.Liston, O.Gittins, M.Pabis, J.G.Heddle, D.Ghilarov. Structural Basis of Chiral Wrap and T-Segment Capture By Escherichia Coli Dna Gyrase Proceedings of the National 2024ACADEMY of Sciences Usa.