Fluorine in PDB 8pgh: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2955

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2955, PDB code: 8pgh 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)	34.13 / 1.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.547, 67.886, 40.208, 90, 93.07, 90
R / Rfree (%)	11.8 / 13.7

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2955 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 2955 (pdb code 8pgh). 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 2955, PDB code: 8pgh:
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 2955


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 2955 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:20.9 occ:0.64 F34 A:YUZ303 0.0 20.9 0.6 H261 A:YUZ303 0.3 26.3 0.4 C26 A:YUZ303 1.3 21.9 0.4 C33 A:YUZ303 1.3 18.8 0.6 C35 A:YUZ303 2.3 17.0 0.6 C25 A:YUZ303 2.3 20.6 0.4 C27 A:YUZ303 2.4 18.3 0.6 C27 A:YUZ303 2.4 23.1 0.4 H351 A:YUZ303 2.5 20.4 0.6 H251 A:YUZ303 2.5 24.7 0.4 HB2 A:HIS240 2.6 15.1 1.0 H281 A:YUZ303 2.6 31.2 0.4 H281 A:YUZ303 2.6 25.8 0.6 H301 A:YUZ303 2.8 33.6 0.4 H301 A:YUZ303 2.8 26.8 0.6 H302 A:YUZ303 2.8 33.6 0.4 H302 A:YUZ303 2.9 26.8 0.6 O A:HOH447 2.9 19.1 0.7 C28 A:YUZ303 2.9 26.1 0.4 C28 A:YUZ303 2.9 21.5 0.6 C30 A:YUZ303 3.2 28.0 0.4 C30 A:YUZ303 3.2 22.4 0.6 O A:HOH669 3.3 20.3 0.7 O A:HOH512 3.3 14.8 0.9 CB A:HIS240 3.3 12.6 1.0 HB3 A:HIS240 3.3 15.1 1.0 HD1 A:HIS201 3.3 21.7 0.6 HE1 A:HIS201 3.5 23.2 1.0 C24 A:YUZ303 3.6 20.0 0.4 C24 A:YUZ303 3.6 15.8 0.6 C33 A:YUZ303 3.6 22.0 0.4 C26 A:YUZ303 3.6 17.7 0.6 S29 A:YUZ303 3.7 28.2 0.4 S29 A:YUZ303 3.7 21.8 0.6 CG A:HIS240 3.8 13.1 1.0 H282 A:YUZ303 3.9 31.2 0.4 H282 A:YUZ303 3.9 25.8 0.6 ND1 A:HIS201 3.9 18.1 1.0 CE1 A:HIS201 4.0 19.3 1.0 C35 A:YUZ303 4.1 20.8 0.4 C25 A:YUZ303 4.1 16.5 0.6 H303 A:YUZ303 4.2 33.6 0.4 H303 A:YUZ303 4.2 26.8 0.6 HD2 A:HIS240 4.2 15.4 1.0 CD2 A:HIS240 4.3 12.8 1.0 HA3 A:GLY209 4.3 28.9 1.0 HA2 A:GLY209 4.4 28.9 1.0 O A:HIS240 4.5 12.5 1.0 H261 A:YUZ303 4.5 21.3 0.6 O A:HOH473 4.5 11.2 0.8 O21 A:YUZ303 4.6 16.6 0.4 CA A:HIS240 4.6 12.1 1.0 ND1 A:HIS240 4.7 13.9 1.0 O A:HOH732 4.7 28.9 0.6 O32 A:YUZ303 4.7 22.1 0.6 O32 A:YUZ303 4.7 28.8 0.4 O31 A:YUZ303 4.7 22.1 0.6 O21 A:YUZ303 4.7 15.3 0.6 F34 A:YUZ303 4.7 21.7 0.4 C A:HIS240 4.8 12.3 1.0 CA A:GLY209 4.8 24.1 1.0 C23 A:YUZ303 4.8 13.9 0.6 O31 A:YUZ303 4.8 28.1 0.4 C23 A:YUZ303 4.8 18.4 0.4 O A:HOH534 4.9 11.5 0.6 HD1 A:HIS240 4.9 16.7 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2955


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 2955 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:21.7 occ:0.36 F34 A:YUZ303 0.0 21.7 0.4 H261 A:YUZ303 0.3 21.3 0.6 C26 A:YUZ303 1.3 17.7 0.6 C33 A:YUZ303 1.3 22.0 0.4 C25 A:YUZ303 2.2 16.5 0.6 C35 A:YUZ303 2.3 20.8 0.4 C27 A:YUZ303 2.4 23.1 0.4 C27 A:YUZ303 2.4 18.3 0.6 H251 A:YUZ303 2.4 19.7 0.6 H282 A:YUZ303 2.4 25.8 0.6 H282 A:YUZ303 2.5 31.2 0.4 H351 A:YUZ303 2.5 25.0 0.4 HE1 A:TYR67 2.7 18.9 1.0 C28 A:YUZ303 2.9 26.1 0.4 C28 A:YUZ303 2.9 21.5 0.6 O A:HOH587 3.2 47.4 1.0 O32 A:YUZ303 3.2 28.8 0.4 HA2 A:GLY209 3.3 28.9 1.0 O A:HOH655 3.4 41.6 1.0 C24 A:YUZ303 3.5 15.8 0.6 CE1 A:TYR67 3.5 15.7 1.0 O32 A:YUZ303 3.5 22.1 0.6 C24 A:YUZ303 3.6 20.0 0.4 C33 A:YUZ303 3.6 18.8 0.6 C26 A:YUZ303 3.6 21.9 0.4 S29 A:YUZ303 3.7 28.2 0.4 H281 A:YUZ303 3.8 25.8 0.6 H281 A:YUZ303 3.8 31.2 0.4 HD1 A:TYR67 3.9 17.9 1.0 S29 A:YUZ303 3.9 21.8 0.6 HH A:TYR67 4.0 20.4 1.0 C35 A:YUZ303 4.0 17.0 0.6 C25 A:YUZ303 4.1 20.6 0.4 CD1 A:TYR67 4.1 15.0 1.0 H151 A:YUZ303 4.2 15.7 0.6 CA A:GLY209 4.2 24.1 1.0 H151 A:YUZ303 4.3 21.9 0.4 O A:HOH732 4.5 28.9 0.6 CZ A:TYR67 4.5 14.8 1.0 H261 A:YUZ303 4.5 26.3 0.4 OH A:TYR67 4.6 17.0 1.0 O31 A:YUZ303 4.6 28.1 0.4 HA3 A:GLY209 4.7 28.9 1.0 O A:HOH466 4.7 31.7 0.7 H302 A:YUZ303 4.7 33.6 0.4 C A:GLY209 4.7 24.4 1.0 F34 A:YUZ303 4.7 20.9 0.6 C23 A:YUZ303 4.8 13.9 0.6 C23 A:YUZ303 4.8 18.4 0.4 H A:GLY209 4.8 30.4 1.0 H302 A:YUZ303 4.9 26.8 0.6 C30 A:YUZ303 4.9 28.0 0.4 O31 A:YUZ303 5.0 22.1 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 2955 To Be Published.