Fluorine in PDB 8pg2: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2728

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2728, PDB code: 8pg2 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)	29.09 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.548, 67.957, 40.341, 90, 93.52, 90
R / Rfree (%)	11.2 / 13.1

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2728 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 2728 (pdb code 8pg2). 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 2728, PDB code: 8pg2:
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 2728


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 2728 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:20.2 occ:0.65 F14 A:YLH303 0.0 20.2 0.7 H211 A:YLH303 0.5 19.5 0.4 C13 A:YLH303 1.4 17.9 0.7 C21 A:YLH303 1.4 16.3 0.4 C22 A:YLH303 2.3 15.9 0.4 C12 A:YLH303 2.3 15.8 0.7 C15 A:YLH303 2.4 18.6 0.7 C15 A:YLH303 2.4 16.4 0.4 H221 A:YLH303 2.5 19.1 0.4 H162 A:YLH303 2.5 23.8 0.7 H121 A:YLH303 2.5 19.0 0.7 H162 A:YLH303 2.6 18.9 0.4 O A:HOH495 2.6 16.5 0.8 HB2 A:HIS240 2.6 14.3 1.0 H182 A:YLH303 2.8 20.9 0.4 H183 A:YLH303 2.8 26.4 0.7 C16 A:YLH303 2.9 19.8 0.7 H182 A:YLH303 2.9 26.4 0.7 C16 A:YLH303 3.0 15.8 0.4 H181 A:YLH303 3.0 20.9 0.4 O A:HOH687 3.1 22.3 0.9 C18 A:YLH303 3.2 22.0 0.7 O A:HOH536 3.2 14.0 1.0 C18 A:YLH303 3.3 17.4 0.4 HB3 A:HIS240 3.3 14.3 1.0 CB A:HIS240 3.4 11.9 1.0 HD1 A:HIS201 3.4 20.2 0.4 C11 A:YLH303 3.6 16.0 0.4 C21 A:YLH303 3.6 17.9 0.7 HE1 A:HIS201 3.6 22.8 1.0 C13 A:YLH303 3.6 16.1 0.4 C11 A:YLH303 3.6 15.3 0.7 S17 A:YLH303 3.7 22.2 0.7 H161 A:YLH303 3.8 23.8 0.7 S17 A:YLH303 3.9 15.3 0.4 H161 A:YLH303 3.9 18.9 0.4 CG A:HIS240 3.9 12.1 1.0 ND1 A:HIS201 4.0 16.9 1.0 C12 A:YLH303 4.1 16.2 0.4 CE1 A:HIS201 4.1 19.0 1.0 C22 A:YLH303 4.1 16.6 0.7 H181 A:YLH303 4.2 26.4 0.7 H183 A:YLH303 4.3 20.9 0.4 HD2 A:HIS240 4.3 13.7 1.0 CD2 A:HIS240 4.4 11.4 1.0 O A:HIS240 4.4 12.0 1.0 H211 A:YLH303 4.5 21.5 0.7 HA3 A:GLY209 4.5 25.2 1.0 HA2 A:GLY209 4.5 25.2 1.0 O A:HOH767 4.5 31.0 0.9 O A:HOH505 4.6 10.3 0.8 O19 A:YLH303 4.6 22.7 0.7 O08 A:YLH303 4.7 16.7 0.4 O08 A:YLH303 4.7 13.7 0.7 CA A:HIS240 4.7 10.9 1.0 O20 A:YLH303 4.7 20.9 0.7 C A:HIS240 4.7 11.3 1.0 ND1 A:HIS240 4.7 12.4 1.0 O19 A:YLH303 4.8 15.9 0.4 F14 A:YLH303 4.8 14.5 0.4 C10 A:YLH303 4.8 15.5 0.4 C10 A:YLH303 4.9 13.2 0.7 O20 A:YLH303 4.9 15.3 0.4 CA A:GLY209 5.0 21.0 1.0 HG2 A:GLU202 5.0 16.0 1.0 HD1 A:HIS240 5.0 14.9 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2728


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 2728 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:14.5 occ:0.36 F14 A:YLH303 0.0 14.5 0.4 H211 A:YLH303 0.4 21.5 0.7 C13 A:YLH303 1.4 16.1 0.4 C21 A:YLH303 1.4 17.9 0.7 C15 A:YLH303 2.4 16.4 0.4 C15 A:YLH303 2.4 18.6 0.7 C22 A:YLH303 2.4 16.6 0.7 C12 A:YLH303 2.4 16.2 0.4 H161 A:YLH303 2.4 18.9 0.4 H161 A:YLH303 2.6 23.8 0.7 H221 A:YLH303 2.6 20.0 0.7 H121 A:YLH303 2.6 19.4 0.4 H21 A:DMS304 2.7 41.5 0.8 C16 A:YLH303 2.8 15.8 0.4 H23 A:DMS304 2.9 41.5 0.8 O A:HOH705 2.9 51.0 1.0 C16 A:YLH303 2.9 19.8 0.7 HE1 A:TYR67 2.9 17.8 1.0 O19 A:YLH303 3.1 22.7 0.7 C2 A:DMS304 3.3 34.6 0.8 O A:HOH629 3.3 38.6 0.9 HA2 A:GLY209 3.4 25.2 1.0 O19 A:YLH303 3.4 15.9 0.4 C21 A:YLH303 3.6 16.3 0.4 C13 A:YLH303 3.6 17.9 0.7 S17 A:YLH303 3.7 22.2 0.7 C11 A:YLH303 3.7 15.3 0.7 C11 A:YLH303 3.7 16.0 0.4 CE1 A:TYR67 3.7 14.9 1.0 H162 A:YLH303 3.8 18.9 0.4 S17 A:YLH303 3.8 15.3 0.4 H162 A:YLH303 3.9 23.8 0.7 HD1 A:TYR67 4.1 18.1 1.0 H22 A:DMS304 4.1 41.5 0.8 C12 A:YLH303 4.1 15.8 0.7 C22 A:YLH303 4.1 15.9 0.4 O A:HOH731 4.2 45.5 0.9 CD1 A:TYR67 4.3 15.1 1.0 CA A:GLY209 4.3 21.0 1.0 O A:HOH767 4.3 31.0 0.9 S A:DMS304 4.3 33.8 0.8 H241 A:YLH303 4.4 15.1 0.7 H241 A:YLH303 4.5 19.0 0.4 H211 A:YLH303 4.5 19.5 0.4 CZ A:TYR67 4.6 14.5 1.0 OH A:TYR67 4.7 16.4 1.0 H182 A:YLH303 4.7 26.4 0.7 O20 A:YLH303 4.7 20.9 0.7 C A:GLY209 4.7 20.9 1.0 HA3 A:GLY209 4.7 25.2 1.0 F14 A:YLH303 4.8 20.2 0.7 H181 A:YLH303 4.8 20.9 0.4 O20 A:YLH303 4.9 15.3 0.4 O A:HOH480 4.9 32.3 0.9 C18 A:YLH303 4.9 22.0 0.7 C10 A:YLH303 4.9 13.2 0.7 C10 A:YLH303 4.9 15.5 0.4 H A:GLY209 4.9 26.5 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 2728 To Be Published.