Fluorine in PDB 8e72: Treponema Lecithinolyticum Beta-Glucuronidase in Complex with A Ciprofloxacin-Glucuronide Conjugate

The structure of Treponema Lecithinolyticum Beta-Glucuronidase in Complex with A Ciprofloxacin-Glucuronide Conjugate, PDB code: 8e72 was solved by A.D.Lietzan, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.76 / 1.95
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	94.406, 94.406, 288.014, 90, 90, 90
R / Rfree (%)	18.4 / 21.2

The binding sites of Fluorine atom in the Treponema Lecithinolyticum Beta-Glucuronidase in Complex with A Ciprofloxacin-Glucuronide Conjugate (pdb code 8e72). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Treponema Lecithinolyticum Beta-Glucuronidase in Complex with A Ciprofloxacin-Glucuronide Conjugate, PDB code: 8e72:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Treponema Lecithinolyticum Beta-Glucuronidase in Complex with A Ciprofloxacin-Glucuronide Conjugate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Treponema Lecithinolyticum Beta-Glucuronidase in Complex with A Ciprofloxacin-Glucuronide Conjugate within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:52.0 occ:0.79 F32 A:USL701 0.0 52.0 0.8 C31 A:USL701 1.4 40.9 0.8 C33 A:USL701 2.4 46.5 0.8 C12 A:USL701 2.4 43.8 0.8 C14 A:USL701 2.9 37.2 0.8 N13 A:USL701 3.0 45.9 0.8 C11 A:USL701 3.6 42.4 0.8 C34 A:USL701 3.7 45.0 0.8 C10 A:USL701 4.1 48.1 0.8 C15 A:USL701 4.3 33.6 0.8 CD2 A:TYR499 4.3 35.4 1.0 C30 A:USL701 4.5 45.8 0.8 CG A:TYR499 4.5 30.5 1.0 CB A:TYR499 4.6 27.9 1.0 CD1 A:LEU473 4.8 36.8 1.0 C35 A:USL701 4.9 48.6 0.8 O A:HOH936 4.9 34.0 1.0 CE2 A:TYR499 5.0 29.9 1.0 CB A:GLN474 5.0 29.3 1.0

Fluorine binding site 2 out of 2 in the Treponema Lecithinolyticum Beta-Glucuronidase in Complex with A Ciprofloxacin-Glucuronide Conjugate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Treponema Lecithinolyticum Beta-Glucuronidase in Complex with A Ciprofloxacin-Glucuronide Conjugate within 5.0Å range: probe atom residue distance (Å) B Occ B:F701 b:70.6 occ:0.81 F32 B:USL701 0.0 70.6 0.8 C31 B:USL701 1.4 55.9 0.8 C33 B:USL701 2.4 56.8 0.8 C12 B:USL701 2.4 55.1 0.8 N13 B:USL701 2.9 50.7 0.8 C30 B:USL701 3.0 48.1 0.8 C11 B:USL701 3.6 53.0 0.8 C34 B:USL701 3.6 58.0 0.8 C10 B:USL701 4.1 61.1 0.8 CD1 B:LEU473 4.2 41.0 1.0 C29 B:USL701 4.4 44.4 0.8 C14 B:USL701 4.4 53.5 0.8 O B:HOH894 4.4 36.9 1.0 O B:GLN474 4.4 32.2 1.0 CB B:GLN474 4.5 39.3 1.0 CD2 B:TYR499 4.9 33.2 1.0 C35 B:USL701 4.9 54.4 0.8

A.D.Lietzan, J.B.Simpson, W.G.Walton, P.B.Jariwala, Y.Xu, M.H.Boynton, J.Liu, M.R.Redinbo. Microbial Beta-Glucuronidases Drive Human Periodontal Disease Etiology. Sci Adv V. 9 G3390 2023.
ISSN: ESSN 2375-2548
PubMed: 37146137
DOI: 10.1126/SCIADV.ADG3390