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

Protein crystallography data

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

Fluorine Binding Sites:

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 8e72

Go back to Fluorine Binding Sites List in 8e72
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 8e72

Go back to Fluorine Binding Sites List in 8e72
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

Reference:

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
Page generated: Wed Jul 16 03:45:40 2025

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