Fluorine in PDB 8pgv: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 3396

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 3396, PDB code: 8pgv 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)	29.14 / 1.23
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.53, 68.05, 40.3, 90, 93.81, 90
R / Rfree (%)	11.8 / 14

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 3396 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 3396 (pdb code 8pgv). 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 3396, PDB code: 8pgv:
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 3396


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 3396 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:22.0 occ:0.39 F22 A:YRT303 0.0 22.0 0.4 F22 A:YRT303 0.5 22.0 0.6 C21 A:YRT303 1.3 17.7 0.6 C21 A:YRT303 1.4 20.4 0.4 H131 A:YRT303 1.9 23.1 0.6 C12 A:YRT303 2.1 16.2 0.6 N13 A:YRT303 2.2 19.3 0.6 C23 A:YRT303 2.3 15.0 0.6 C23 A:YRT303 2.3 18.0 0.4 C12 A:YRT303 2.4 21.3 0.4 H231 A:YRT303 2.5 21.6 0.4 H231 A:YRT303 2.6 18.0 0.6 N13 A:YRT303 2.7 24.5 0.4 H131 A:YRT303 2.8 29.4 0.4 O A:HOH449 2.9 24.4 0.8 HB2 A:HIS240 2.9 14.4 1.0 H201 A:YRT303 2.9 30.7 0.4 C11 A:YRT303 3.4 15.4 0.6 O19 A:YRT303 3.5 24.6 0.4 HB3 A:HIS240 3.5 14.4 1.0 H181 A:YRT303 3.5 31.5 0.4 C09 A:YRT303 3.6 12.6 0.6 CB A:HIS240 3.6 12.0 1.0 O A:HOH516 3.6 12.0 0.9 HD1 A:HIS201 3.6 21.2 0.6 C09 A:YRT303 3.6 16.5 0.4 C11 A:YRT303 3.7 19.8 0.4 HE1 A:HIS201 3.7 22.4 0.6 C20 A:YRT303 3.8 25.6 0.4 H181 A:YRT303 3.8 23.6 0.6 S14 A:YRT303 3.9 19.9 0.6 C10 A:YRT303 3.9 14.2 0.6 C18 A:YRT303 4.0 26.2 0.4 CG A:HIS240 4.1 10.7 1.0 S14 A:YRT303 4.1 27.4 0.4 C10 A:YRT303 4.1 17.8 0.4 ND1 A:HIS201 4.2 17.7 0.6 C17 A:YRT303 4.2 26.7 0.4 HA2 A:GLY209 4.3 23.2 1.0 CE1 A:HIS201 4.3 18.7 0.6 HA3 A:GLY209 4.4 23.2 1.0 H202 A:YRT303 4.4 30.7 0.4 O26 A:YRT303 4.4 14.1 0.4 C18 A:YRT303 4.4 19.7 0.6 H111 A:YRT303 4.4 18.4 0.6 C17 A:YRT303 4.4 19.4 0.6 H171 A:YRT303 4.5 23.3 0.6 O15 A:YRT303 4.5 21.0 0.6 HD2 A:HIS240 4.5 13.7 1.0 CD2 A:HIS240 4.5 11.4 1.0 H182 A:YRT303 4.5 23.6 0.6 O16 A:YRT303 4.6 19.4 0.6 C08 A:YRT303 4.7 14.8 0.4 C08 A:YRT303 4.7 11.0 0.6 O A:HIS240 4.7 12.0 1.0 H111 A:YRT303 4.7 23.8 0.4 O26 A:YRT303 4.8 13.5 0.6 CA A:GLY209 4.8 19.3 1.0 ND1 A:HIS240 4.9 12.2 1.0 CA A:HIS240 4.9 10.9 1.0 O A:HOH496 4.9 10.6 0.8 HD1 A:TYR67 5.0 17.1 1.0 C25 A:YRT303 5.0 13.5 0.4 C A:HIS240 5.0 11.1 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 3396


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 3396 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:22.0 occ:0.61 F22 A:YRT303 0.0 22.0 0.6 F22 A:YRT303 0.5 22.0 0.4 C21 A:YRT303 1.4 17.7 0.6 C21 A:YRT303 1.6 20.4 0.4 H131 A:YRT303 2.0 23.1 0.6 C23 A:YRT303 2.3 15.0 0.6 C12 A:YRT303 2.4 16.2 0.6 C23 A:YRT303 2.4 18.0 0.4 H231 A:YRT303 2.4 21.6 0.4 HB2 A:HIS240 2.5 14.4 1.0 N13 A:YRT303 2.5 19.3 0.6 H231 A:YRT303 2.5 18.0 0.6 H201 A:YRT303 2.7 30.7 0.4 C12 A:YRT303 2.7 21.3 0.4 O A:HOH449 3.0 24.4 0.8 HB3 A:HIS240 3.0 14.4 1.0 CB A:HIS240 3.1 12.0 1.0 N13 A:YRT303 3.1 24.5 0.4 H131 A:YRT303 3.3 29.4 0.4 O19 A:YRT303 3.3 24.6 0.4 H181 A:YRT303 3.6 31.5 0.4 O A:HOH516 3.6 12.0 0.9 CG A:HIS240 3.7 10.7 1.0 C09 A:YRT303 3.7 12.6 0.6 C11 A:YRT303 3.7 15.4 0.6 C20 A:YRT303 3.7 25.6 0.4 C09 A:YRT303 3.7 16.5 0.4 HD1 A:HIS201 3.8 21.2 0.6 C18 A:YRT303 4.0 26.2 0.4 HE1 A:HIS201 4.0 22.4 0.6 C11 A:YRT303 4.0 19.8 0.4 C10 A:YRT303 4.1 14.2 0.6 H202 A:YRT303 4.1 30.7 0.4 CD2 A:HIS240 4.2 11.4 1.0 S14 A:YRT303 4.2 19.9 0.6 H181 A:YRT303 4.2 23.6 0.6 HD2 A:HIS240 4.3 13.7 1.0 C17 A:YRT303 4.3 26.7 0.4 C10 A:YRT303 4.4 17.8 0.4 S14 A:YRT303 4.4 27.4 0.4 O A:HIS240 4.4 12.0 1.0 ND1 A:HIS240 4.4 12.2 1.0 CA A:HIS240 4.4 10.9 1.0 ND1 A:HIS201 4.4 17.7 0.6 O26 A:YRT303 4.5 14.1 0.4 CE1 A:HIS201 4.5 18.7 0.6 C A:HIS240 4.6 11.1 1.0 HD1 A:HIS240 4.6 14.6 0.8 C08 A:YRT303 4.7 14.8 0.4 C08 A:YRT303 4.7 11.0 0.6 HA2 A:GLY209 4.7 23.2 1.0 H111 A:YRT303 4.7 18.4 0.6 O15 A:YRT303 4.7 21.0 0.6 O A:HOH496 4.8 10.6 0.8 HA3 A:GLY209 4.8 23.2 1.0 HD1 A:TYR67 4.9 17.1 1.0 C18 A:YRT303 4.9 19.7 0.6 C17 A:YRT303 4.9 19.4 0.6 O16 A:YRT303 4.9 19.4 0.6 O26 A:YRT303 4.9 13.5 0.6 HD2 A:PRO68 5.0 14.5 1.0 H171 A:YRT303 5.0 23.3 0.6 C25 A:YRT303 5.0 13.5 0.4

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 3396 To Be Published.