Fluorine in PDB 4kra: Salmonella Typhi Ompf Complex with Ciprofloxacin

The structure of Salmonella Typhi Ompf Complex with Ciprofloxacin, PDB code: 4kra was solved by T.Madhuranayaki, D.Balasubramaniam, S.Krishnaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.160, 139.110, 151.150, 90.00, 90.00, 90.00
R / Rfree (%)	27.2 / 33.9

The binding sites of Fluorine atom in the Salmonella Typhi Ompf Complex with Ciprofloxacin (pdb code 4kra). 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 Salmonella Typhi Ompf Complex with Ciprofloxacin, PDB code: 4kra:

Fluorine binding site 1 out of 1 in the Salmonella Typhi Ompf Complex with Ciprofloxacin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Salmonella Typhi Ompf Complex with Ciprofloxacin within 5.0Å range: probe atom residue distance (Å) B Occ C:F401 b:88.5 occ:1.00 F1 C:CPF401 0.0 88.5 1.0 C7 C:CPF401 1.4 92.0 1.0 C6 C:CPF401 2.4 92.3 1.0 C8 C:CPF401 2.4 92.2 1.0 N2 C:CPF401 2.9 92.1 1.0 N C:ALA121 3.1 91.8 1.0 O C:ALA121 3.3 91.2 1.0 C14 C:CPF401 3.4 90.8 1.0 C C:GLY120 3.5 92.1 1.0 C C:ALA121 3.5 91.3 1.0 C5 C:CPF401 3.7 90.5 1.0 C9 C:CPF401 3.7 91.8 1.0 CA C:ALA121 3.7 91.5 1.0 CA C:GLY120 3.7 92.1 1.0 CG2 C:THR123 3.8 89.8 1.0 C17 C:CPF401 3.9 91.5 1.0 C10 C:CPF401 4.2 91.8 1.0 N C:TYR122 4.3 91.1 1.0 O C:GLY120 4.3 92.3 1.0 C C:TYR122 4.4 90.7 1.0 O C:TYR122 4.4 90.0 1.0 N C:THR123 4.7 90.9 1.0 CA C:TYR122 4.8 91.0 1.0 C4 C:CPF401 4.9 88.3 1.0 CB C:THR123 4.9 91.2 1.0 C15 C:CPF401 4.9 90.0 1.0 CA C:THR123 5.0 91.3 1.0 O3 C:CPF401 5.0 83.6 1.0

T.Madhuranayaki, D.Balasubramaniam, S.Krishnaswamy. Salmonella Typhi Ompf Complex with Ciprofloxacin To Be Published.