Fluorine in PDB 8pg9: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2817

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2817, PDB code: 8pg9 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)	40.21 / 1.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.5, 67.96, 40.29, 90, 93.53, 90
R / Rfree (%)	13.5 / 16

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2817 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 2817 (pdb code 8pg9). 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 2817, PDB code: 8pg9:
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 2817


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 2817 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:19.7 occ:0.73 F14 A:YV8303 0.0 19.7 0.7 H211 A:YV8303 0.3 19.9 0.3 C21 A:YV8303 1.3 16.7 0.3 C13 A:YV8303 1.4 17.5 0.7 C22 A:YV8303 2.3 16.2 0.3 C12 A:YV8303 2.4 15.7 0.7 H181 A:YV8303 2.4 25.3 0.3 C15 A:YV8303 2.4 17.3 0.3 C15 A:YV8303 2.4 17.7 0.7 H183 A:YV8303 2.4 24.7 0.7 H161 A:YV8303 2.5 22.5 0.7 H221 A:YV8303 2.5 19.3 0.3 H121 A:YV8303 2.6 18.7 0.7 H161 A:YV8303 2.6 23.1 0.3 HB2 A:HIS240 2.6 13.7 1.0 O A:HOH437 2.8 16.3 0.8 C16 A:YV8303 2.9 18.9 0.7 C16 A:YV8303 2.9 19.4 0.3 C18 A:YV8303 3.1 21.2 0.3 H183 A:YV8303 3.1 25.3 0.3 O A:HOH657 3.2 18.5 0.8 C18 A:YV8303 3.2 20.6 0.7 O A:HOH533 3.3 12.1 0.9 H181 A:YV8303 3.3 24.7 0.7 CB A:HIS240 3.4 11.5 1.0 HB3 A:HIS240 3.4 13.7 1.0 C11 A:YV8303 3.6 15.7 0.3 C11 A:YV8303 3.6 14.7 0.7 C13 A:YV8303 3.7 16.1 0.3 S17 A:YV8303 3.7 20.9 0.3 C21 A:YV8303 3.7 17.6 0.7 HE1 A:HIS201 3.7 21.5 1.0 S17 A:YV8303 3.8 19.7 0.7 H162 A:YV8303 3.8 22.5 0.7 H162 A:YV8303 3.9 23.1 0.3 CG A:HIS240 3.9 10.7 1.0 ND1 A:HIS201 4.0 16.3 1.0 H182 A:YV8303 4.1 25.3 0.3 C12 A:YV8303 4.1 16.0 0.3 C22 A:YV8303 4.1 16.4 0.7 CE1 A:HIS201 4.2 18.0 1.0 H182 A:YV8303 4.2 24.7 0.7 HD2 A:HIS240 4.3 13.0 1.0 CD2 A:HIS240 4.3 10.9 1.0 HA3 A:GLY209 4.4 23.7 1.0 O A:HIS240 4.5 11.0 1.0 O A:HOH716 4.5 30.8 0.9 HA2 A:GLY209 4.5 23.7 1.0 H211 A:YV8303 4.5 21.0 0.7 O08 A:YV8303 4.6 15.7 0.3 O A:HOH501 4.6 10.8 0.9 O08 A:YV8303 4.6 12.8 0.7 CA A:HIS240 4.7 11.0 1.0 O19 A:YV8303 4.7 19.4 0.7 O19 A:YV8303 4.7 20.9 0.3 O20 A:YV8303 4.7 21.5 0.3 ND1 A:HIS240 4.7 11.4 1.0 C A:HIS240 4.8 10.9 1.0 F14 A:YV8303 4.8 14.2 0.3 C10 A:YV8303 4.8 15.1 0.3 O20 A:YV8303 4.8 20.3 0.7 C10 A:YV8303 4.8 12.0 0.7 CA A:GLY209 5.0 19.8 1.0 C07 A:YV8303 5.0 15.3 0.3 C07 A:YV8303 5.0 11.3 0.7 HD1 A:HIS240 5.0 13.6 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2817


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 2817 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:14.2 occ:0.27 F14 A:YV8303 0.0 14.2 0.3 H211 A:YV8303 0.4 21.0 0.7 C13 A:YV8303 1.4 16.1 0.3 C21 A:YV8303 1.4 17.6 0.7 C12 A:YV8303 2.4 16.0 0.3 C22 A:YV8303 2.4 16.4 0.7 C15 A:YV8303 2.4 17.3 0.3 C15 A:YV8303 2.4 17.7 0.7 H162 A:YV8303 2.4 22.5 0.7 H162 A:YV8303 2.5 23.1 0.3 H121 A:YV8303 2.6 19.1 0.3 H221 A:YV8303 2.6 19.5 0.7 C16 A:YV8303 2.9 19.4 0.3 C16 A:YV8303 2.9 18.9 0.7 HE1 A:TYR67 2.9 17.1 1.0 O A:HOH607 3.1 29.1 0.5 O20 A:YV8303 3.3 21.5 0.3 O19 A:YV8303 3.3 19.4 0.7 HA2 A:GLY209 3.4 23.7 1.0 C11 A:YV8303 3.6 14.7 0.7 C11 A:YV8303 3.6 15.7 0.3 C13 A:YV8303 3.6 17.5 0.7 C21 A:YV8303 3.6 16.7 0.3 CE1 A:TYR67 3.7 14.3 1.0 S17 A:YV8303 3.7 20.9 0.3 S17 A:YV8303 3.8 19.7 0.7 H161 A:YV8303 3.8 22.5 0.7 H161 A:YV8303 3.8 23.1 0.3 HD1 A:TYR67 4.1 16.2 1.0 C12 A:YV8303 4.1 15.7 0.7 C22 A:YV8303 4.1 16.2 0.3 CD1 A:TYR67 4.3 13.6 1.0 O A:HOH716 4.3 30.8 0.9 CA A:GLY209 4.3 19.8 1.0 H241 A:YV8303 4.4 14.8 0.7 H241 A:YV8303 4.4 18.3 0.3 H211 A:YV8303 4.5 19.9 0.3 O A:HOH474 4.6 27.2 0.8 CZ A:TYR67 4.6 14.7 1.0 OH A:TYR67 4.6 15.5 1.0 H181 A:YV8303 4.7 25.3 0.3 HA3 A:GLY209 4.7 23.7 1.0 O20 A:YV8303 4.7 20.3 0.7 O19 A:YV8303 4.8 20.9 0.3 C A:GLY209 4.8 20.2 1.0 F14 A:YV8303 4.8 19.7 0.7 H183 A:YV8303 4.9 24.7 0.7 C10 A:YV8303 4.9 12.0 0.7 C18 A:YV8303 4.9 21.2 0.3 C10 A:YV8303 4.9 15.1 0.3

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2817 To Be Published.