Fluorine in PDB 8pg4: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2730

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2730, PDB code: 8pg4 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)	39.52 / 1.38
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.59, 68.1, 40.36, 90, 93.32, 90
R / Rfree (%)	14.3 / 16.3

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2730 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 2730 (pdb code 8pg4). 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 2730, PDB code: 8pg4:
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 2730


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 2730 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:20.0 occ:0.50 F28 A:YTO303 0.0 20.0 0.5 H201 A:YTO303 0.6 24.0 0.5 C27 A:YTO303 1.4 20.0 0.5 C20 A:YTO303 1.5 20.0 0.5 C29 A:YTO303 2.4 20.0 0.5 H241 A:YTO303 2.4 24.0 0.5 C21 A:YTO303 2.4 20.0 0.5 C19 A:YTO303 2.4 20.0 0.5 C21 A:YTO303 2.5 20.0 0.5 H222 A:YTO303 2.5 24.0 0.5 H291 A:YTO303 2.6 24.0 0.5 HB2 A:HIS240 2.6 17.9 1.0 H222 A:YTO303 2.6 24.0 0.5 H191 A:YTO303 2.6 24.0 0.5 O A:HOH497 2.7 14.6 0.6 H242 A:YTO303 2.8 24.0 0.5 H243 A:YTO303 2.9 24.0 0.5 C22 A:YTO303 2.9 20.0 0.5 C22 A:YTO303 3.0 20.0 0.5 C24 A:YTO303 3.0 20.0 0.5 O A:HOH646 3.1 19.1 0.7 H241 A:YTO303 3.2 24.0 0.5 CB A:HIS240 3.3 14.9 1.0 HB3 A:HIS240 3.3 17.9 1.0 O A:HOH529 3.4 7.9 0.6 C24 A:YTO303 3.4 20.0 0.5 S23 A:YTO303 3.6 20.0 0.5 C18 A:YTO303 3.6 20.0 0.5 HE1 A:HIS201 3.6 27.1 1.0 C20 A:YTO303 3.6 20.0 0.5 C18 A:YTO303 3.7 20.0 0.5 C27 A:YTO303 3.7 20.0 0.5 CG A:HIS240 3.8 14.8 1.0 H221 A:YTO303 3.9 24.0 0.5 H221 A:YTO303 3.9 24.0 0.5 S23 A:YTO303 3.9 20.0 0.5 H243 A:YTO303 4.0 24.0 0.5 ND1 A:HIS201 4.1 20.9 1.0 C19 A:YTO303 4.1 20.0 0.5 CE1 A:HIS201 4.2 22.6 1.0 C29 A:YTO303 4.2 20.0 0.5 HD2 A:HIS240 4.2 17.8 1.0 CD2 A:HIS240 4.2 14.8 1.0 H242 A:YTO303 4.4 24.0 0.5 O A:HIS240 4.5 13.9 1.0 H201 A:YTO303 4.5 24.0 0.5 HA3 A:GLY209 4.5 28.0 1.0 O25 A:YTO303 4.5 20.0 0.5 O A:HOH703 4.5 30.5 0.7 O16 A:YTO303 4.6 20.0 0.5 HA2 A:GLY209 4.6 28.0 1.0 O A:HOH500 4.6 8.7 0.6 ND1 A:HIS240 4.6 15.4 1.0 CA A:HIS240 4.6 13.7 1.0 O26 A:YTO303 4.7 20.0 0.5 C A:HIS240 4.8 13.4 1.0 F28 A:YTO303 4.8 20.0 0.5 O16 A:YTO303 4.9 20.0 0.5 C17 A:YTO303 4.9 20.0 0.5 HD1 A:HIS240 4.9 18.5 1.0 C17 A:YTO303 4.9 20.0 0.5 O25 A:YTO303 4.9 20.0 0.5 O26 A:YTO303 4.9 20.0 0.5

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2730


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 2730 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:20.0 occ:0.50 F28 A:YTO303 0.0 20.0 0.5 H201 A:YTO303 0.7 24.0 0.5 C27 A:YTO303 1.4 20.0 0.5 C20 A:YTO303 1.5 20.0 0.5 C21 A:YTO303 2.4 20.0 0.5 C29 A:YTO303 2.4 20.0 0.5 H221 A:YTO303 2.4 24.0 0.5 C19 A:YTO303 2.4 20.0 0.5 C21 A:YTO303 2.4 20.0 0.5 H191 A:YTO303 2.6 24.0 0.5 H291 A:YTO303 2.6 24.0 0.5 H221 A:YTO303 2.7 24.0 0.5 C22 A:YTO303 2.8 20.0 0.5 C22 A:YTO303 2.9 20.0 0.5 O A:HOH574 3.0 48.8 0.9 HE2 A:TYR67 3.0 21.8 1.0 O25 A:YTO303 3.0 20.0 0.5 HA2 A:GLY209 3.2 28.0 1.0 O A:HOH580 3.4 51.4 1.0 O25 A:YTO303 3.5 20.0 0.5 S23 A:YTO303 3.5 20.0 0.5 C18 A:YTO303 3.6 20.0 0.5 C20 A:YTO303 3.6 20.0 0.5 C18 A:YTO303 3.6 20.0 0.5 C27 A:YTO303 3.6 20.0 0.5 H222 A:YTO303 3.7 24.0 0.5 S23 A:YTO303 3.8 20.0 0.5 CE2 A:TYR67 3.8 18.2 1.0 O A:HOH641 3.9 49.5 1.0 H222 A:YTO303 4.0 24.0 0.5 C29 A:YTO303 4.1 20.0 0.5 C19 A:YTO303 4.1 20.0 0.5 CA A:GLY209 4.2 23.4 1.0 HD2 A:TYR67 4.2 20.7 1.0 CD2 A:TYR67 4.4 17.3 1.0 H311 A:YTO303 4.5 24.0 0.5 H201 A:YTO303 4.5 24.0 0.5 H311 A:YTO303 4.5 24.0 0.5 H241 A:YTO303 4.5 24.0 0.5 HA3 A:GLY209 4.6 28.0 1.0 C A:GLY209 4.6 22.7 1.0 OH A:TYR67 4.6 19.6 1.0 CZ A:TYR67 4.6 17.7 1.0 O26 A:YTO303 4.7 20.0 0.5 O A:HOH560 4.7 31.3 0.7 C24 A:YTO303 4.7 20.0 0.5 H243 A:YTO303 4.8 24.0 0.5 F28 A:YTO303 4.8 20.0 0.5 O A:HOH703 4.8 30.5 0.7 H A:GLY209 4.8 29.7 1.0 O26 A:YTO303 4.8 20.0 0.5 C17 A:YTO303 4.9 20.0 0.5 C17 A:YTO303 4.9 20.0 0.5 H A:ASN210 5.0 25.7 1.0 N A:ASN210 5.0 21.4 1.0 C24 A:YTO303 5.0 20.0 0.5

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2730 To Be Published.