Fluorine in PDB 8pg8: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2816

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2816, PDB code: 8pg8 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)	27.41 / 1.28
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.52, 67.97, 40.34, 90, 93.28, 90
R / Rfree (%)	11.6 / 14.1

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2816 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 2816 (pdb code 8pg8). 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 2816, PDB code: 8pg8:
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 2816


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 2816 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:21.5 occ:0.60 F21 A:YVC303 0.0 21.5 0.6 H131 A:YVC303 0.4 22.1 0.4 C20 A:YVC303 1.4 19.6 0.6 C13 A:YVC303 1.4 18.4 0.4 C12 A:YVC303 2.3 16.9 0.4 C22 A:YVC303 2.3 16.9 0.6 C14 A:YVC303 2.4 19.3 0.6 H121 A:YVC303 2.4 20.2 0.4 H173 A:YVC303 2.5 27.0 0.6 C14 A:YVC303 2.5 19.8 0.4 H173 A:YVC303 2.5 29.3 0.4 H221 A:YVC303 2.5 20.3 0.6 H151 A:YVC303 2.6 25.5 0.6 HB2 A:HIS240 2.6 15.0 1.0 H151 A:YVC303 2.7 27.2 0.4 H172 A:YVC303 2.7 29.3 0.4 O A:HOH464 2.8 15.8 0.6 H172 A:YVC303 2.9 27.0 0.6 C15 A:YVC303 3.0 21.3 0.6 C17 A:YVC303 3.0 24.4 0.4 C15 A:YVC303 3.0 22.7 0.4 C17 A:YVC303 3.1 22.5 0.6 HD1 A:HIS201 3.2 22.9 1.0 O A:HOH520 3.3 12.2 0.8 O A:HOH646 3.3 22.8 0.6 CB A:HIS240 3.4 12.5 1.0 HB3 A:HIS240 3.4 15.0 1.0 HE1 A:HIS201 3.5 25.1 1.0 C11 A:YVC303 3.6 16.6 0.4 C11 A:YVC303 3.6 15.9 0.6 S16 A:YVC303 3.7 25.4 0.4 C20 A:YVC303 3.7 18.4 0.4 C13 A:YVC303 3.7 17.4 0.6 S16 A:YVC303 3.8 22.7 0.6 ND1 A:HIS201 3.8 19.1 1.0 CG A:HIS240 3.9 12.5 1.0 H152 A:YVC303 3.9 25.5 0.6 H171 A:YVC303 4.0 29.3 0.4 CE1 A:HIS201 4.0 20.9 1.0 H152 A:YVC303 4.0 27.2 0.4 H171 A:YVC303 4.1 27.0 0.6 C22 A:YVC303 4.1 17.9 0.4 C12 A:YVC303 4.1 17.7 0.6 HD2 A:HIS240 4.2 14.1 1.0 CD2 A:HIS240 4.3 11.7 1.0 HA2 A:GLY209 4.3 27.0 1.0 HA3 A:GLY209 4.3 27.0 1.0 O09 A:YVC303 4.4 16.6 0.4 O A:HOH490 4.5 11.6 0.9 O A:HOH706 4.5 45.9 1.0 O A:HIS240 4.5 12.1 1.0 H131 A:YVC303 4.6 20.9 0.6 O09 A:YVC303 4.6 14.4 0.6 O18 A:YVC303 4.6 21.5 0.6 O19 A:YVC303 4.7 23.1 0.4 CA A:HIS240 4.7 11.3 1.0 O18 A:YVC303 4.7 26.0 0.4 C10 A:YVC303 4.8 15.0 0.4 ND1 A:HIS240 4.8 13.8 1.0 C10 A:YVC303 4.8 13.4 0.6 CA A:GLY209 4.8 22.5 1.0 C A:HIS240 4.8 11.4 1.0 F21 A:YVC303 4.8 18.3 0.4 C07 A:YVC303 4.9 13.2 0.6 O19 A:YVC303 4.9 24.6 0.6 O A:HOH480 4.9 11.9 0.5 C07 A:YVC303 4.9 14.7 0.4

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2816


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 2816 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:18.3 occ:0.40 F21 A:YVC303 0.0 18.3 0.4 H131 A:YVC303 0.4 20.9 0.6 C20 A:YVC303 1.4 18.4 0.4 C13 A:YVC303 1.4 17.4 0.6 C22 A:YVC303 2.4 17.9 0.4 C14 A:YVC303 2.4 19.8 0.4 C12 A:YVC303 2.4 17.7 0.6 C14 A:YVC303 2.4 19.3 0.6 H152 A:YVC303 2.5 25.5 0.6 H152 A:YVC303 2.6 27.2 0.4 H221 A:YVC303 2.6 21.4 0.4 H121 A:YVC303 2.6 21.2 0.6 HE1 A:TYR67 2.8 19.0 1.0 C15 A:YVC303 2.9 21.3 0.6 C15 A:YVC303 2.9 22.7 0.4 O18 A:YVC303 3.3 26.0 0.4 O18 A:YVC303 3.4 21.5 0.6 HA2 A:GLY209 3.4 27.0 1.0 C13 A:YVC303 3.6 18.4 0.4 CE1 A:TYR67 3.6 15.9 1.0 C11 A:YVC303 3.6 15.9 0.6 C11 A:YVC303 3.6 16.6 0.4 C20 A:YVC303 3.6 19.6 0.6 S16 A:YVC303 3.7 25.4 0.4 H151 A:YVC303 3.8 25.5 0.6 S16 A:YVC303 3.9 22.7 0.6 H151 A:YVC303 3.9 27.2 0.4 HD1 A:TYR67 4.0 18.6 1.0 C12 A:YVC303 4.1 16.9 0.4 C22 A:YVC303 4.1 16.9 0.6 O A:HOH706 4.2 45.9 1.0 CD1 A:TYR67 4.2 15.5 1.0 H241 A:YVC303 4.3 15.6 0.6 CA A:GLY209 4.4 22.5 1.0 H241 A:YVC303 4.4 18.6 0.4 H131 A:YVC303 4.5 22.1 0.4 H173 A:YVC303 4.5 29.3 0.4 CZ A:TYR67 4.5 15.2 1.0 OH A:TYR67 4.6 17.2 1.0 O A:HOH433 4.7 41.6 0.9 C A:GLY209 4.7 22.2 1.0 O19 A:YVC303 4.8 24.6 0.6 HA3 A:GLY209 4.8 27.0 1.0 F21 A:YVC303 4.8 21.5 0.6 C17 A:YVC303 4.8 24.4 0.4 H173 A:YVC303 4.8 27.0 0.6 C10 A:YVC303 4.9 13.4 0.6 HG A:SER207 4.9 37.1 0.7 O19 A:YVC303 4.9 23.1 0.4 C10 A:YVC303 4.9 15.0 0.4 H A:GLY209 4.9 29.1 1.0

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2816 To Be Published.