Fluorine in PDB 7pjc: The Structure of Candida Albicans Phosphoglucomutase with Isothiazolone Modification on CYS359

All present enzymatic activity of The Structure of Candida Albicans Phosphoglucomutase with Isothiazolone Modification on CYS359:
5.4.2.2;

The structure of The Structure of Candida Albicans Phosphoglucomutase with Isothiazolone Modification on CYS359, PDB code: 7pjc was solved by K.Yan, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.97 / 2.11
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.744, 86.444, 110.154, 90, 92.74, 90
R / Rfree (%)	18.9 / 25.5

The structure of The Structure of Candida Albicans Phosphoglucomutase with Isothiazolone Modification on CYS359 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the The Structure of Candida Albicans Phosphoglucomutase with Isothiazolone Modification on CYS359 (pdb code 7pjc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The Structure of Candida Albicans Phosphoglucomutase with Isothiazolone Modification on CYS359, PDB code: 7pjc:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The Structure of Candida Albicans Phosphoglucomutase with Isothiazolone Modification on CYS359


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Structure of Candida Albicans Phosphoglucomutase with Isothiazolone Modification on CYS359 within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:28.7 occ:1.00 F01 B:A4W601 0.0 28.7 1.0 C02 B:A4W601 1.3 20.5 1.0 C03 B:A4W601 2.3 24.3 1.0 C13 B:A4W601 2.4 24.4 1.0 N04 B:A4W601 2.6 25.4 1.0 CL1 B:A4W601 3.0 30.3 1.0 CG B:LYS385 3.5 18.6 1.0 CB B:TRP355 3.5 27.2 1.0 C10 B:A4W601 3.6 24.3 1.0 C12 B:A4W601 3.7 23.2 1.0 C05 B:A4W601 3.7 30.8 1.0 CA B:TRP355 3.9 25.1 1.0 CD B:LYS385 3.9 22.0 1.0 CD2 B:PHE358 4.0 18.6 1.0 C11 B:A4W601 4.1 22.8 1.0 O B:HOH911 4.3 35.2 1.0 O09 B:A4W601 4.4 38.7 1.0 C06 B:A4W601 4.5 23.2 1.0 O B:HOH1018 4.6 28.8 1.0 CE2 B:PHE358 4.7 18.6 1.0 CB B:PHE358 4.8 16.7 1.0 CG B:PHE358 4.8 15.6 1.0 N B:LYS385 4.8 15.9 1.0 N B:TRP355 4.8 21.2 1.0 CE B:LYS385 4.8 22.9 1.0 CB B:LYS385 4.9 15.8 1.0 O B:TRP355 4.9 20.9 1.0 CG B:TRP355 4.9 24.3 1.0 C B:TRP355 4.9 25.5 1.0

Fluorine binding site 2 out of 2 in the The Structure of Candida Albicans Phosphoglucomutase with Isothiazolone Modification on CYS359


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Structure of Candida Albicans Phosphoglucomutase with Isothiazolone Modification on CYS359 within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:25.8 occ:1.00 F01 A:A4W602 0.0 25.8 1.0 C02 A:A4W602 1.3 22.8 1.0 C03 A:A4W602 2.3 25.8 1.0 C13 A:A4W602 2.4 24.1 1.0 N04 A:A4W602 2.6 28.5 1.0 CL1 A:A4W602 2.9 36.5 1.0 CG A:LYS385 3.5 22.2 1.0 C10 A:A4W602 3.6 27.8 1.0 C12 A:A4W602 3.6 24.3 1.0 C05 A:A4W602 3.7 36.5 1.0 CB A:TRP355 3.8 34.7 1.0 CD2 A:PHE358 3.9 24.7 1.0 CD A:LYS385 4.0 25.9 1.0 CA A:TRP355 4.0 28.8 1.0 C11 A:A4W602 4.1 27.2 1.0 C06 A:A4W602 4.4 28.4 1.0 O09 A:A4W602 4.4 44.3 1.0 CB A:PHE358 4.6 28.7 1.0 CE2 A:PHE358 4.6 22.9 1.0 CG A:PHE358 4.6 26.1 1.0 N A:LYS385 4.8 19.6 1.0 O A:TRP355 4.8 26.6 1.0 CB A:LYS385 4.8 20.6 1.0 N A:TRP355 4.9 30.4 1.0 C A:TRP355 4.9 29.5 1.0

K.Yan, M.Stanley, B.Kowalski, O.G.Raimi, A.T.Ferenbach, P.Wei, H.Yuan, W.Fang, D.M.F.Van Aalten. Targeting An Essential Step in the Biosynthetic Pathway of Uridine Diphosphate Glucose in Aspergillus Fumigatus To Be Published.