Fluorine in PDB 8pao: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2654

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2654, PDB code: 8pao 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)	34.55 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.433, 67.883, 40.202, 90, 93.29, 90
R / Rfree (%)	13.4 / 16.4

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2654 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 2654 (pdb code 8pao). 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 2654, PDB code: 8pao:
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 2654


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 2654 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:24.4 occ:0.54 F16 A:XZH303 0.0 24.4 0.5 H081 A:XZH303 0.2 26.7 0.5 C08 A:XZH303 1.3 22.3 0.5 C15 A:XZH303 1.4 23.1 0.5 C09 A:XZH303 2.3 23.2 0.5 C07 A:XZH303 2.4 21.1 0.5 C09 A:XZH303 2.4 23.4 0.5 C17 A:XZH303 2.4 20.9 0.5 H102 A:XZH303 2.4 29.3 0.5 H102 A:XZH303 2.5 29.8 0.5 H171 A:XZH303 2.6 25.0 0.5 H071 A:XZH303 2.6 25.3 0.5 C10 A:XZH303 2.8 24.4 0.5 C10 A:XZH303 2.8 24.8 0.5 HE1 A:TYR67 3.0 22.1 1.0 O12 A:XZH303 3.1 25.7 0.5 HA2 A:GLY209 3.3 28.7 1.0 O12 A:XZH303 3.4 27.0 0.5 S11 A:XZH303 3.6 26.0 0.5 C15 A:XZH303 3.6 22.0 0.5 C06 A:XZH303 3.6 19.9 0.5 C06 A:XZH303 3.6 19.1 0.5 C08 A:XZH303 3.6 21.8 0.5 S11 A:XZH303 3.7 25.3 0.5 H101 A:XZH303 3.7 29.3 0.5 CE1 A:TYR67 3.8 18.5 1.0 H101 A:XZH303 3.8 29.8 0.5 C17 A:XZH303 4.1 20.3 0.5 C07 A:XZH303 4.1 19.5 0.5 HD1 A:TYR67 4.2 21.5 1.0 CA A:GLY209 4.2 23.9 1.0 CD1 A:TYR67 4.4 17.9 1.0 H191 A:XZH303 4.4 18.9 0.5 H081 A:XZH303 4.5 26.1 0.5 H191 A:XZH303 4.5 22.2 0.5 O14 A:XZH303 4.5 27.4 0.5 HG A:SER207 4.6 46.4 1.0 O A:HOH665 4.6 28.8 0.6 C A:GLY209 4.6 23.0 1.0 CZ A:TYR67 4.7 17.8 1.0 HA3 A:GLY209 4.7 28.7 1.0 H133 A:XZH303 4.7 30.7 0.5 H133 A:XZH303 4.7 30.8 0.5 OH A:TYR67 4.7 19.6 1.0 F16 A:XZH303 4.7 22.1 0.5 H A:GLY209 4.7 30.6 1.0 O14 A:XZH303 4.8 24.3 0.5 O A:HOH466 4.8 33.8 0.8 C13 A:XZH303 4.9 25.7 0.5 C05 A:XZH303 4.9 18.1 0.5 C05 A:XZH303 4.9 17.0 0.5 C13 A:XZH303 5.0 25.6 0.5

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2654


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 2654 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:22.1 occ:0.46 F16 A:XZH303 0.0 22.1 0.5 H081 A:XZH303 0.2 26.1 0.5 C08 A:XZH303 1.3 21.8 0.5 C15 A:XZH303 1.4 22.0 0.5 C07 A:XZH303 2.3 19.5 0.5 C17 A:XZH303 2.4 20.3 0.5 C09 A:XZH303 2.4 23.4 0.5 C09 A:XZH303 2.4 23.2 0.5 H133 A:XZH303 2.5 30.8 0.5 H101 A:XZH303 2.5 29.8 0.5 H133 A:XZH303 2.5 30.7 0.5 H101 A:XZH303 2.5 29.3 0.5 H071 A:XZH303 2.6 23.3 0.5 H171 A:XZH303 2.6 24.3 0.5 HB2 A:HIS240 2.6 19.8 1.0 O A:HOH475 2.7 19.6 0.8 C10 A:XZH303 2.9 24.8 0.5 C10 A:XZH303 2.9 24.4 0.5 H131 A:XZH303 3.0 30.7 0.5 C13 A:XZH303 3.1 25.6 0.5 C13 A:XZH303 3.2 25.7 0.5 O A:HOH631 3.3 26.7 0.9 H131 A:XZH303 3.3 30.8 0.5 O A:HOH474 3.3 15.2 0.8 CB A:HIS240 3.4 16.5 1.0 HB3 A:HIS240 3.5 19.8 1.0 C06 A:XZH303 3.6 19.1 0.5 C15 A:XZH303 3.6 23.1 0.5 C06 A:XZH303 3.6 19.9 0.5 S11 A:XZH303 3.7 25.3 0.5 HE1 A:HIS201 3.7 31.2 1.0 C08 A:XZH303 3.7 22.3 0.5 S11 A:XZH303 3.7 26.0 0.5 H102 A:XZH303 3.8 29.8 0.5 H102 A:XZH303 3.9 29.3 0.5 CG A:HIS240 3.9 16.4 1.0 ND1 A:HIS201 4.0 24.5 1.0 C17 A:XZH303 4.1 20.9 0.5 H132 A:XZH303 4.1 30.7 0.5 C07 A:XZH303 4.2 21.1 0.5 CE1 A:HIS201 4.2 26.1 1.0 H132 A:XZH303 4.2 30.8 0.5 HD2 A:HIS240 4.2 19.8 1.0 CD2 A:HIS240 4.3 16.5 1.0 HA2 A:GLY209 4.4 28.7 1.0 HA3 A:GLY209 4.5 28.7 1.0 O A:HIS240 4.5 17.1 1.0 O A:HOH665 4.5 28.8 0.6 H081 A:XZH303 4.6 26.7 0.5 O03 A:XZH303 4.6 20.7 0.5 O03 A:XZH303 4.6 17.2 0.5 O A:HOH471 4.6 12.0 0.7 O12 A:XZH303 4.7 25.7 0.5 CA A:HIS240 4.7 15.4 1.0 O14 A:XZH303 4.7 24.3 0.5 O12 A:XZH303 4.7 27.0 0.5 ND1 A:HIS240 4.7 16.1 1.0 F16 A:XZH303 4.7 24.4 0.5 C A:HIS240 4.8 15.6 1.0 C05 A:XZH303 4.8 17.0 0.5 O14 A:XZH303 4.8 27.4 0.5 C05 A:XZH303 4.9 18.1 0.5 CA A:GLY209 4.9 23.9 1.0 C02 A:XZH303 4.9 19.5 0.5 HD1 A:HIS240 5.0 19.2 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 2654 To Be Published.