Fluorine in PDB 8i46: Interaction Between A Fluoroquinolone Derivative KG022 and Rnas: Effect of Base Pairs 3' Adjacent to the Bulge Out Residues

The binding sites of Fluorine atom in the Interaction Between A Fluoroquinolone Derivative KG022 and Rnas: Effect of Base Pairs 3' Adjacent to the Bulge Out Residues (pdb code 8i46). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Interaction Between A Fluoroquinolone Derivative KG022 and Rnas: Effect of Base Pairs 3' Adjacent to the Bulge Out Residues, PDB code: 8i46:

Fluorine binding site 1 out of 1 in the Interaction Between A Fluoroquinolone Derivative KG022 and Rnas: Effect of Base Pairs 3' Adjacent to the Bulge Out Residues


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Interaction Between A Fluoroquinolone Derivative KG022 and Rnas: Effect of Base Pairs 3' Adjacent to the Bulge Out Residues within 5.0Å range: probe atom residue distance (Å) B Occ A:F20 b:0.3 occ:1.00 F9 A:53D20 0.0 0.3 1.0 C9 A:53D20 1.4 0.3 1.0 H14 A:53D20 2.2 0.4 1.0 C8 A:53D20 2.4 0.3 1.0 C10 A:53D20 2.4 0.3 1.0 H10 A:53D20 2.6 0.3 1.0 H2' A:U4 2.7 0.3 1.0 N14 A:53D20 2.8 0.4 1.0 C2 A:U4 3.0 0.3 1.0 H3' A:U4 3.1 0.5 1.0 N3 A:U4 3.1 0.3 1.0 O2 A:U4 3.3 0.2 1.0 N1 A:U4 3.3 0.3 1.0 H8 A:G5 3.4 0.2 1.0 H3 A:U4 3.5 0.3 1.0 H191 A:53D20 3.5 0.6 1.0 C2' A:U4 3.5 0.3 1.0 N7 A:G5 3.5 0.2 1.0 C19 A:53D20 3.5 0.5 1.0 C8 A:G5 3.6 0.2 1.0 C7 A:53D20 3.6 0.3 1.0 C3 A:53D20 3.6 0.2 1.0 H192 A:53D20 3.7 0.6 1.0 C4 A:U4 3.7 0.3 1.0 OP2 A:G5 3.8 0.5 1.0 C6 A:U4 3.8 0.3 1.0 C3' A:U4 3.8 0.4 1.0 O5' A:G5 3.8 0.8 1.0 C5 A:U4 3.9 0.3 1.0 C1' A:U4 4.0 0.3 1.0 C15 A:53D20 4.0 0.3 1.0 H151 A:53D20 4.1 0.7 1.0 C2 A:53D20 4.2 0.3 1.0 N1 A:A16 4.3 0.3 1.0 P A:G5 4.3 0.6 1.0 O4 A:U4 4.4 0.3 1.0 H152 A:53D20 4.5 0.6 1.0 H61 A:A16 4.5 0.3 1.0 H7 A:53D20 4.5 0.3 1.0 H6 A:U4 4.5 0.3 1.0 H2 A:A16 4.5 0.3 1.0 C5 A:G5 4.5 0.2 1.0 O3' A:U4 4.6 0.5 1.0 N9 A:G5 4.6 0.2 1.0 H5 A:U4 4.7 0.3 1.0 H5' A:G5 4.7 1.2 1.0 O2' A:U4 4.8 0.3 1.0 H1' A:U4 4.8 0.2 1.0 C2 A:A16 4.8 0.3 1.0 O4' A:U4 4.8 0.3 1.0 C4 A:53D20 4.8 0.2 1.0 HO2' A:U4 4.9 0.9 1.0 C5' A:G5 4.9 0.5 1.0 O4' A:G5 4.9 0.2 1.0 O4 A:53D20 4.9 0.2 1.0 C4' A:U4 4.9 0.4 1.0 O5' A:U4 5.0 0.4 1.0 C18 A:53D20 5.0 0.6 1.0

R.Ichijo, T.Kamimura, G.Kawai. Interaction Between A Fluoroquinolone Derivative KG022 and Rnas: Effect of Base Pairs 3' Adjacent to the Bulged Residues Front Mol Biosci V. 10 2023.
ISSN: ESSN 2296-889X
DOI: 10.3389/FMOLB.2023.1145528