Fluorine in PDB 8pan: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2653

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2653, PDB code: 8pan 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)	34.57 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.381, 67.896, 40.242, 90, 93.48, 90
R / Rfree (%)	12.8 / 14.8

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2653 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 2653 (pdb code 8pan). 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 2653, PDB code: 8pan:
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 2653


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 2653 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:25.8 occ:0.55 F23 A:XZL303 0.0 25.8 0.6 F23 A:XZL303 0.4 23.6 0.5 C22 A:XZL303 1.3 21.5 0.5 C22 A:XZL303 1.4 22.8 0.6 C24 A:XZL303 2.3 21.4 0.5 C21 A:XZL303 2.3 20.4 0.5 C21 A:XZL303 2.4 20.4 0.6 C24 A:XZL303 2.4 23.0 0.6 H252 A:XZL303 2.4 26.3 0.5 H252 A:XZL303 2.5 29.6 0.6 HB2 A:HIS240 2.6 17.0 1.0 H211 A:XZL303 2.6 24.4 0.6 H211 A:XZL303 2.6 24.4 0.5 H271 A:XZL303 2.8 30.7 0.6 C25 A:XZL303 2.8 22.0 0.5 O A:HOH476 2.9 15.5 0.6 H273 A:XZL303 2.9 27.3 0.5 C25 A:XZL303 2.9 24.7 0.6 H273 A:XZL303 3.0 30.7 0.6 O A:HOH642 3.2 22.2 0.8 H271 A:XZL303 3.2 27.3 0.5 HB3 A:HIS240 3.3 17.0 1.0 CB A:HIS240 3.3 14.2 1.0 C27 A:XZL303 3.3 25.6 0.6 C27 A:XZL303 3.4 22.8 0.5 O A:HOH499 3.5 14.3 1.0 C30 A:XZL303 3.5 21.3 0.5 C20 A:XZL303 3.6 20.3 0.5 HD1 A:HIS201 3.6 27.1 1.0 C30 A:XZL303 3.7 22.2 0.6 C20 A:XZL303 3.7 18.8 0.6 CG A:HIS240 3.7 13.4 1.0 H251 A:XZL303 3.7 26.3 0.5 HE1 A:HIS201 3.7 28.3 1.0 S26 A:XZL303 3.8 26.1 0.6 S26 A:XZL303 3.9 22.6 0.5 H251 A:XZL303 3.9 29.6 0.6 C31 A:XZL303 4.1 20.6 0.5 CD2 A:HIS240 4.1 13.5 1.0 HD2 A:HIS240 4.1 16.1 1.0 C31 A:XZL303 4.2 20.4 0.6 ND1 A:HIS201 4.2 22.6 1.0 CE1 A:HIS201 4.3 23.6 1.0 H272 A:XZL303 4.3 30.7 0.6 O A:HOH696 4.4 28.5 0.7 H301 A:XZL303 4.4 25.5 0.5 H272 A:XZL303 4.4 27.3 0.5 ND1 A:HIS240 4.5 14.5 1.0 HA2 A:GLY209 4.5 29.4 1.0 H301 A:XZL303 4.5 26.6 0.6 O17 A:XZL303 4.6 22.3 0.5 O A:HIS240 4.6 13.7 1.0 CA A:HIS240 4.6 13.0 1.0 HA3 A:GLY209 4.6 29.4 1.0 O A:HOH475 4.7 12.8 0.9 O28 A:XZL303 4.7 21.6 0.5 HD1 A:HIS240 4.7 17.4 1.0 O29 A:XZL303 4.7 24.7 0.6 C19 A:XZL303 4.8 19.7 0.5 C A:HIS240 4.8 13.0 1.0 O17 A:XZL303 4.9 13.3 0.6 C19 A:XZL303 4.9 15.3 0.6 O28 A:XZL303 4.9 27.4 0.6 C16 A:XZL303 4.9 21.3 0.5 HD2 A:TYR67 4.9 18.9 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2653


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 2653 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:23.6 occ:0.45 F23 A:XZL303 0.0 23.6 0.5 F23 A:XZL303 0.4 25.8 0.6 C22 A:XZL303 1.4 21.5 0.5 C22 A:XZL303 1.5 22.8 0.6 C21 A:XZL303 2.3 20.4 0.5 C21 A:XZL303 2.4 20.4 0.6 C24 A:XZL303 2.4 21.4 0.5 HB2 A:HIS240 2.5 17.0 1.0 H211 A:XZL303 2.5 24.4 0.5 H211 A:XZL303 2.6 24.4 0.6 C24 A:XZL303 2.6 23.0 0.6 H252 A:XZL303 2.6 26.3 0.5 H271 A:XZL303 2.6 30.7 0.6 H273 A:XZL303 2.7 27.3 0.5 H252 A:XZL303 2.8 29.6 0.6 H273 A:XZL303 2.8 30.7 0.6 O A:HOH476 2.9 15.5 0.6 C25 A:XZL303 3.0 22.0 0.5 H271 A:XZL303 3.1 27.3 0.5 C25 A:XZL303 3.1 24.7 0.6 C27 A:XZL303 3.1 25.6 0.6 C27 A:XZL303 3.2 22.8 0.5 HD1 A:HIS201 3.3 27.1 1.0 CB A:HIS240 3.3 14.2 1.0 O A:HOH499 3.3 14.3 1.0 HE1 A:HIS201 3.4 28.3 1.0 HB3 A:HIS240 3.4 17.0 1.0 O A:HOH642 3.5 22.2 0.8 C20 A:XZL303 3.6 20.3 0.5 C30 A:XZL303 3.7 21.3 0.5 CG A:HIS240 3.7 13.4 1.0 C20 A:XZL303 3.7 18.8 0.6 C30 A:XZL303 3.8 22.2 0.6 S26 A:XZL303 3.8 26.1 0.6 S26 A:XZL303 3.8 22.6 0.5 ND1 A:HIS201 3.9 22.6 1.0 CE1 A:HIS201 3.9 23.6 1.0 H251 A:XZL303 3.9 26.3 0.5 HD2 A:HIS240 4.0 16.1 1.0 CD2 A:HIS240 4.0 13.5 1.0 H272 A:XZL303 4.1 30.7 0.6 H251 A:XZL303 4.1 29.6 0.6 C31 A:XZL303 4.2 20.6 0.5 H272 A:XZL303 4.2 27.3 0.5 C31 A:XZL303 4.2 20.4 0.6 O17 A:XZL303 4.3 22.3 0.5 O A:HOH475 4.4 12.8 0.9 HA2 A:GLY209 4.4 29.4 1.0 HA3 A:GLY209 4.4 29.4 1.0 O A:HIS240 4.5 13.7 1.0 ND1 A:HIS240 4.6 14.5 1.0 H301 A:XZL303 4.6 25.5 0.5 CA A:HIS240 4.6 13.0 1.0 O17 A:XZL303 4.6 13.3 0.6 O28 A:XZL303 4.7 21.6 0.5 H301 A:XZL303 4.7 26.6 0.6 O A:HOH511 4.7 11.9 0.5 O A:HOH696 4.7 28.5 0.7 C16 A:XZL303 4.7 21.3 0.5 O29 A:XZL303 4.8 24.7 0.6 C19 A:XZL303 4.8 19.7 0.5 C A:HIS240 4.8 13.0 1.0 HD1 A:HIS240 4.9 17.4 1.0 C19 A:XZL303 4.9 15.3 0.6 CA A:GLY209 4.9 24.6 1.0 O28 A:XZL303 4.9 27.4 0.6 C16 A:XZL303 4.9 12.5 0.6 H A:HIS240 5.0 14.0 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 2653 To Be Published.