Fluorine in PDB 8pgc: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2868

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2868, PDB code: 8pgc 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)	34.65 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.531, 68.282, 40.302, 90, 93.96, 90
R / Rfree (%)	13.1 / 14.6

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2868 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 2868 (pdb code 8pgc). 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 2868, PDB code: 8pgc:
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 2868


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 2868 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:21.0 occ:0.53 F28 A:YSB303 0.0 21.0 0.5 H251 A:YSB303 0.4 20.2 0.5 C25 A:YSB303 1.3 16.8 0.5 C27 A:YSB303 1.4 20.8 0.5 C29 A:YSB303 2.3 19.1 0.5 C24 A:YSB303 2.4 15.8 0.5 C26 A:YSB303 2.4 16.3 0.5 C26 A:YSB303 2.5 21.3 0.5 H291 A:YSB303 2.5 23.0 0.5 H241 A:YSB303 2.6 18.9 0.5 H322 A:YSB303 2.6 31.8 0.5 HB2 A:HIS240 2.6 16.0 1.0 H301 A:YSB303 2.6 29.0 0.5 H302 A:YSB303 2.7 20.6 0.5 O A:HOH455 2.7 11.4 0.4 H323 A:YSB303 2.7 31.8 0.5 H323 A:YSB303 2.8 16.7 0.5 C30 A:YSB303 3.0 24.1 0.5 C30 A:YSB303 3.0 17.2 0.5 C32 A:YSB303 3.0 26.5 0.5 H322 A:YSB303 3.1 16.7 0.5 O A:HOH516 3.2 10.7 0.7 O A:HOH646 3.2 22.1 0.6 HB3 A:HIS240 3.3 16.0 1.0 C32 A:YSB303 3.3 13.9 0.5 CB A:HIS240 3.4 13.3 1.0 C23 A:YSB303 3.6 15.2 0.5 HE1 A:HIS201 3.6 24.8 1.0 S31 A:YSB303 3.7 26.5 0.5 C25 A:YSB303 3.7 20.2 0.5 C23 A:YSB303 3.7 18.0 0.5 C27 A:YSB303 3.7 16.8 0.5 S31 A:YSB303 3.9 17.7 0.5 ND1 A:HIS201 3.9 19.7 1.0 CG A:HIS240 3.9 13.7 1.0 H301 A:YSB303 3.9 20.6 0.5 H302 A:YSB303 4.0 29.0 0.5 H321 A:YSB303 4.0 31.8 0.5 CE1 A:HIS201 4.1 20.7 1.0 C29 A:YSB303 4.2 15.9 0.5 C24 A:YSB303 4.2 19.4 0.5 HD2 A:HIS240 4.3 15.9 1.0 CD2 A:HIS240 4.3 13.3 1.0 H321 A:YSB303 4.3 16.7 0.5 O A:HIS240 4.4 14.3 1.0 O A:HOH505 4.5 7.6 0.5 HA3 A:GLY209 4.5 24.9 1.0 HA2 A:GLY209 4.5 24.9 1.0 H251 A:YSB303 4.6 24.3 0.5 O34 A:YSB303 4.6 26.2 0.5 CA A:HIS240 4.6 12.3 1.0 O21 A:YSB303 4.6 13.0 0.5 O21 A:YSB303 4.7 17.7 0.5 C A:HIS240 4.7 13.1 1.0 O33 A:YSB303 4.7 25.9 0.5 ND1 A:HIS240 4.8 14.0 1.0 O33 A:YSB303 4.8 20.8 0.5 C22 A:YSB303 4.8 14.7 0.5 F28 A:YSB303 4.8 18.7 0.5 C22 A:YSB303 4.9 16.0 0.5 HG2 A:GLU202 4.9 18.8 1.0 O34 A:YSB303 5.0 16.6 0.5 CA A:GLY209 5.0 20.8 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2868


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 2868 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:18.7 occ:0.47 F28 A:YSB303 0.0 18.7 0.5 H251 A:YSB303 0.3 24.3 0.5 C25 A:YSB303 1.3 20.2 0.5 C27 A:YSB303 1.4 16.8 0.5 C29 A:YSB303 2.3 15.9 0.5 C26 A:YSB303 2.3 21.3 0.5 C24 A:YSB303 2.4 19.4 0.5 C26 A:YSB303 2.5 16.3 0.5 H301 A:YSB303 2.5 20.6 0.5 H302 A:YSB303 2.5 29.0 0.5 H291 A:YSB303 2.6 19.1 0.5 H241 A:YSB303 2.7 23.3 0.5 C30 A:YSB303 2.8 24.1 0.5 C30 A:YSB303 2.9 17.2 0.5 HE2 A:TYR67 2.9 21.1 1.0 O33 A:YSB303 3.2 20.8 0.5 O33 A:YSB303 3.3 25.9 0.5 HA2 A:GLY209 3.3 24.9 1.0 O A:HOH618 3.5 43.1 0.9 C23 A:YSB303 3.6 18.0 0.5 C25 A:YSB303 3.6 16.8 0.5 S31 A:YSB303 3.7 17.7 0.5 C23 A:YSB303 3.7 15.2 0.5 C27 A:YSB303 3.7 20.8 0.5 CE2 A:TYR67 3.7 17.6 1.0 S31 A:YSB303 3.8 26.5 0.5 H301 A:YSB303 3.8 29.0 0.5 H302 A:YSB303 3.8 20.6 0.5 HD2 A:TYR67 4.1 20.3 1.0 C29 A:YSB303 4.2 19.1 0.5 C24 A:YSB303 4.2 15.8 0.5 CA A:GLY209 4.3 20.8 1.0 H361 A:YSB303 4.3 16.1 0.5 CD2 A:TYR67 4.4 16.9 1.0 H361 A:YSB303 4.5 19.3 0.5 H251 A:YSB303 4.5 20.2 0.5 H323 A:YSB303 4.6 31.8 0.5 CZ A:TYR67 4.6 17.8 1.0 O A:HOH463 4.6 33.0 0.7 OH A:TYR67 4.6 19.4 1.0 C A:GLY209 4.7 20.3 1.0 HA3 A:GLY209 4.7 24.9 1.0 O34 A:YSB303 4.7 16.6 0.5 H323 A:YSB303 4.8 16.7 0.5 F28 A:YSB303 4.8 21.0 0.5 C32 A:YSB303 4.9 26.5 0.5 O34 A:YSB303 4.9 26.2 0.5 H A:GLY209 4.9 26.2 1.0 C22 A:YSB303 4.9 16.0 0.5 O A:HOH456 5.0 28.4 0.6 C22 A:YSB303 5.0 14.7 0.5 C32 A:YSB303 5.0 13.9 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 2868 To Be Published.