Fluorine in PDB 8pgm: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 3062

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 3062, PDB code: 8pgm 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)	28.90 / 1.27
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.42, 67.83, 40.08, 90, 93.28, 90
R / Rfree (%)	12.8 / 15.6

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 3062 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 3062 (pdb code 8pgm). 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 3062, PDB code: 8pgm:
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 3062


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 3062 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:16.3 occ:0.43 F22 A:YU0303 0.0 16.3 0.4 H141 A:YU0303 0.3 21.5 0.6 C14 A:YU0303 1.3 17.9 0.6 C21 A:YU0303 1.4 16.6 0.4 C15 A:YU0303 2.3 18.7 0.6 C13 A:YU0303 2.4 16.7 0.6 C23 A:YU0303 2.4 15.3 0.4 C15 A:YU0303 2.4 17.9 0.4 H161 A:YU0303 2.5 23.2 0.6 H231 A:YU0303 2.6 18.4 0.4 H161 A:YU0303 2.6 24.7 0.4 H131 A:YU0303 2.6 20.0 0.6 HE1 A:TYR67 2.8 18.1 1.0 C16 A:YU0303 2.8 19.3 0.6 C16 A:YU0303 2.9 20.6 0.4 HA2 A:GLY209 3.3 22.3 1.0 O20 A:YU0303 3.3 24.5 0.4 O A:DMS304 3.4 35.1 0.7 O20 A:YU0303 3.5 22.6 0.6 C21 A:YU0303 3.6 19.2 0.6 CE1 A:TYR67 3.6 15.0 1.0 C12 A:YU0303 3.6 16.6 0.6 C12 A:YU0303 3.6 14.7 0.4 S17 A:YU0303 3.6 23.0 0.4 C14 A:YU0303 3.6 17.1 0.4 O A:HOH609 3.7 53.3 1.0 S17 A:YU0303 3.7 21.0 0.6 H162 A:YU0303 3.8 23.2 0.6 H162 A:YU0303 3.9 24.7 0.4 HD1 A:TYR67 4.0 18.6 1.0 C23 A:YU0303 4.1 18.0 0.6 C13 A:YU0303 4.1 16.0 0.4 CD1 A:TYR67 4.2 15.5 1.0 O A:HOH447 4.2 34.3 1.0 CA A:GLY209 4.2 18.6 1.0 H251 A:YU0303 4.3 16.4 0.6 H251 A:YU0303 4.4 17.4 0.4 CZ A:TYR67 4.5 15.4 1.0 H141 A:YU0303 4.5 20.5 0.4 S A:DMS304 4.5 34.5 0.7 OH A:TYR67 4.5 16.7 1.0 H181 A:YU0303 4.6 27.7 0.4 H183 A:YU0303 4.6 27.3 0.6 N19 A:YU0303 4.6 22.1 0.4 C A:GLY209 4.7 18.6 1.0 H A:GLY209 4.7 23.5 1.0 F22 A:YU0303 4.7 21.2 0.6 HA3 A:GLY209 4.8 22.3 1.0 O A:HOH673 4.8 29.3 0.8 C18 A:YU0303 4.8 23.1 0.4 N19 A:YU0303 4.9 20.1 0.6 C18 A:YU0303 4.9 22.8 0.6 C11 A:YU0303 4.9 15.0 0.6 C11 A:YU0303 4.9 13.1 0.4

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 3062


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 3062 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:21.2 occ:0.57 F22 A:YU0303 0.0 21.2 0.6 H141 A:YU0303 0.3 20.5 0.4 C14 A:YU0303 1.3 17.1 0.4 C21 A:YU0303 1.4 19.2 0.6 C15 A:YU0303 2.3 17.9 0.4 C13 A:YU0303 2.4 16.0 0.4 C23 A:YU0303 2.4 18.0 0.6 C15 A:YU0303 2.4 18.7 0.6 H162 A:YU0303 2.5 24.7 0.4 H162 A:YU0303 2.5 23.2 0.6 H231 A:YU0303 2.6 21.6 0.6 H131 A:YU0303 2.6 19.2 0.4 H181 A:YU0303 2.6 27.7 0.4 HB2 A:HIS240 2.7 15.8 1.0 H183 A:YU0303 2.7 27.3 0.6 H182 A:YU0303 2.7 27.3 0.6 O A:HOH471 2.8 16.8 0.8 C16 A:YU0303 2.8 20.6 0.4 C16 A:YU0303 2.9 19.3 0.6 H183 A:YU0303 3.0 27.7 0.4 C18 A:YU0303 3.1 22.8 0.6 C18 A:YU0303 3.2 23.1 0.4 O A:HOH628 3.3 21.3 0.9 HB3 A:HIS240 3.3 15.8 1.0 CB A:HIS240 3.4 13.1 1.0 O A:HOH502 3.4 15.3 1.0 HD1 A:HIS201 3.5 24.6 0.6 HE1 A:HIS201 3.5 26.2 1.0 C21 A:YU0303 3.6 16.6 0.4 C12 A:YU0303 3.6 14.7 0.4 C12 A:YU0303 3.6 16.6 0.6 S17 A:YU0303 3.7 23.0 0.4 C14 A:YU0303 3.7 17.9 0.6 S17 A:YU0303 3.7 21.0 0.6 H161 A:YU0303 3.8 24.7 0.4 H161 A:YU0303 3.9 23.2 0.6 CG A:HIS240 3.9 13.0 1.0 ND1 A:HIS201 4.0 20.5 1.0 CE1 A:HIS201 4.1 21.8 1.0 C23 A:YU0303 4.1 15.3 0.4 H181 A:YU0303 4.1 27.3 0.6 C13 A:YU0303 4.2 16.7 0.6 H182 A:YU0303 4.2 27.7 0.4 HA2 A:GLY209 4.3 22.3 1.0 HD2 A:HIS240 4.3 15.5 1.0 CD2 A:HIS240 4.3 12.9 1.0 HA3 A:GLY209 4.4 22.3 1.0 O10 A:YU0303 4.5 18.4 0.6 H141 A:YU0303 4.6 21.5 0.6 O A:HIS240 4.6 14.2 1.0 O20 A:YU0303 4.7 22.6 0.6 O A:HOH457 4.7 13.4 0.9 O20 A:YU0303 4.7 24.5 0.4 ND1 A:HIS240 4.7 13.4 1.0 CA A:HIS240 4.7 13.0 1.0 F22 A:YU0303 4.7 16.3 0.4 O10 A:YU0303 4.7 11.0 0.4 O A:HOH673 4.7 29.3 0.8 CA A:GLY209 4.8 18.6 1.0 N19 A:YU0303 4.8 22.1 0.4 C A:HIS240 4.8 13.2 1.0 N19 A:YU0303 4.8 20.1 0.6 C11 A:YU0303 4.8 15.0 0.6 C11 A:YU0303 4.8 13.1 0.4 C08 A:YU0303 4.9 17.3 0.6 H191 A:YU0303 4.9 26.6 0.4 HD1 A:HIS240 4.9 16.1 1.0 H191 A:YU0303 5.0 24.1 0.6

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 3062 To Be Published.