Fluorine in PDB 8pg7: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2755

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2755, PDB code: 8pg7 was solved by K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.48 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.302, 67.869, 40.101, 90, 93.53, 90
R / Rfree (%)	12.5 / 14.1

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2755 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2755 (pdb code 8pg7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2755, PDB code: 8pg7:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2755


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2755 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:17.1 occ:0.50 F14 A:YV3303 0.0 17.1 0.5 H211 A:YV3303 0.3 15.3 0.5 C21 A:YV3303 1.4 12.8 0.5 C13 A:YV3303 1.4 15.2 0.5 C22 A:YV3303 2.3 11.1 0.5 C12 A:YV3303 2.4 13.1 0.5 C15 A:YV3303 2.4 13.4 0.5 C15 A:YV3303 2.4 15.1 0.5 H183 A:YV3303 2.4 22.6 0.5 H162 A:YV3303 2.5 21.0 0.5 H162 A:YV3303 2.5 19.8 0.5 H221 A:YV3303 2.6 13.3 0.5 HB2 A:HIS240 2.6 11.7 1.0 H121 A:YV3303 2.6 15.7 0.5 O A:HOH463 2.7 12.9 0.7 H183 A:YV3303 2.7 21.6 0.5 C16 A:YV3303 2.9 17.5 0.5 C16 A:YV3303 2.9 16.4 0.5 H181 A:YV3303 3.1 21.6 0.5 H181 A:YV3303 3.1 22.6 0.5 C18 A:YV3303 3.1 18.8 0.5 O A:HOH649 3.2 17.5 0.8 O A:HOH517 3.2 12.2 0.9 C18 A:YV3303 3.3 18.0 0.5 HB3 A:HIS240 3.3 11.7 1.0 CB A:HIS240 3.3 9.7 1.0 HD1 A:HIS201 3.4 18.9 0.5 HE1 A:HIS201 3.6 20.8 1.0 C11 A:YV3303 3.6 11.5 0.5 C13 A:YV3303 3.6 13.7 0.5 C11 A:YV3303 3.7 12.7 0.5 C21 A:YV3303 3.7 14.7 0.5 S17 A:YV3303 3.7 18.7 0.5 S17 A:YV3303 3.8 18.1 0.5 H161 A:YV3303 3.8 21.0 0.5 H161 A:YV3303 3.9 19.8 0.5 CG A:HIS240 3.9 9.9 1.0 ND1 A:HIS201 4.0 15.7 1.0 CE1 A:HIS201 4.1 17.3 1.0 H182 A:YV3303 4.1 22.6 0.5 C12 A:YV3303 4.1 13.3 0.5 C22 A:YV3303 4.2 14.2 0.5 HD2 A:HIS240 4.3 11.2 1.0 H182 A:YV3303 4.3 21.6 0.5 CD2 A:HIS240 4.3 9.4 1.0 HA2 A:GLY209 4.4 20.4 1.0 O A:HIS240 4.4 10.6 1.0 HA3 A:GLY209 4.5 20.4 1.0 O A:HOH709 4.5 25.1 0.7 H211 A:YV3303 4.5 17.6 0.5 O A:HOH465 4.6 9.8 0.9 CA A:HIS240 4.6 9.7 1.0 O20 A:YV3303 4.6 18.1 0.5 O09 A:YV3303 4.6 11.4 0.5 O19 A:YV3303 4.7 17.9 0.5 ND1 A:HIS240 4.7 9.9 1.0 C A:HIS240 4.7 9.7 1.0 O09 A:YV3303 4.7 13.4 0.5 O20 A:YV3303 4.8 19.7 0.5 F14 A:YV3303 4.8 14.5 0.5 C10 A:YV3303 4.8 10.0 0.5 C10 A:YV3303 4.8 10.8 0.5 O19 A:YV3303 4.8 19.2 0.5 CA A:GLY209 4.9 17.0 1.0 HD1 A:HIS240 5.0 11.9 0.8 HG2 A:GLU202 5.0 13.8 1.0 C07 A:YV3303 5.0 12.3 0.5

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2755


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2755 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:14.5 occ:0.51 F14 A:YV3303 0.0 14.5 0.5 H211 A:YV3303 0.2 17.6 0.5 C21 A:YV3303 1.3 14.7 0.5 C13 A:YV3303 1.4 13.7 0.5 C22 A:YV3303 2.3 14.2 0.5 C15 A:YV3303 2.4 15.1 0.5 C15 A:YV3303 2.4 13.4 0.5 C12 A:YV3303 2.4 13.3 0.5 H161 A:YV3303 2.5 19.8 0.5 H161 A:YV3303 2.5 21.0 0.5 H221 A:YV3303 2.5 17.0 0.5 H121 A:YV3303 2.6 15.9 0.5 C16 A:YV3303 2.8 16.4 0.5 HE1 A:TYR67 2.8 13.7 1.0 C16 A:YV3303 2.9 17.5 0.5 O20 A:YV3303 3.2 18.1 0.5 HA2 A:GLY209 3.3 20.4 1.0 O20 A:YV3303 3.3 19.7 0.5 C11 A:YV3303 3.5 12.7 0.5 C13 A:YV3303 3.6 15.2 0.5 C21 A:YV3303 3.6 12.8 0.5 C11 A:YV3303 3.6 11.5 0.5 CE1 A:TYR67 3.6 11.4 1.0 S17 A:YV3303 3.7 18.1 0.5 S17 A:YV3303 3.8 18.7 0.5 H162 A:YV3303 3.8 19.8 0.5 H162 A:YV3303 3.8 21.0 0.5 HD1 A:TYR67 4.0 14.5 1.0 C12 A:YV3303 4.0 13.1 0.5 C22 A:YV3303 4.1 11.1 0.5 CA A:GLY209 4.2 17.0 1.0 CD1 A:TYR67 4.3 12.1 1.0 H241 A:YV3303 4.3 13.7 0.5 H241 A:YV3303 4.4 14.9 0.5 O A:HOH451 4.4 28.5 0.8 O A:HOH632 4.5 18.5 0.6 H211 A:YV3303 4.5 15.3 0.5 O A:HOH709 4.6 25.1 0.7 CZ A:TYR67 4.6 11.4 1.0 O19 A:YV3303 4.6 19.2 0.5 H181 A:YV3303 4.6 22.6 0.5 OH A:TYR67 4.6 13.2 1.0 C A:GLY209 4.7 17.0 1.0 H A:GLY209 4.7 21.4 1.0 HA3 A:GLY209 4.7 20.4 1.0 F14 A:YV3303 4.8 17.1 0.5 C10 A:YV3303 4.8 10.8 0.5 C18 A:YV3303 4.8 18.8 0.5 C10 A:YV3303 4.9 10.0 0.5 O19 A:YV3303 4.9 17.9 0.5 H181 A:YV3303 4.9 21.6 0.5 C18 A:YV3303 5.0 18.0 0.5

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2755 To Be Published.