Fluorine in PDB 8pge: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2936

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2936, PDB code: 8pge 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)	40.27 / 1.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.48, 68.08, 40.35, 90, 93.53, 90
R / Rfree (%)	13 / 15.8

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2936 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 2936 (pdb code 8pge). 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 2936, PDB code: 8pge:
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 2936


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 2936 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:21.2 occ:0.84 F19 A:YU8303 0.0 21.2 0.8 H111 A:YU8303 0.4 20.6 0.2 C18 A:YU8303 1.4 16.5 0.8 C11 A:YU8303 1.4 17.2 0.2 C20 A:YU8303 2.4 15.5 0.8 C12 A:YU8303 2.4 18.2 0.2 C12 A:YU8303 2.4 16.4 0.8 H132 A:YU8303 2.4 24.6 0.2 C10 A:YU8303 2.4 16.9 0.2 H132 A:YU8303 2.6 22.2 0.8 H201 A:YU8303 2.6 18.5 0.8 H101 A:YU8303 2.7 20.2 0.2 C13 A:YU8303 2.8 20.5 0.2 C13 A:YU8303 2.9 18.6 0.8 HE1 A:TYR67 3.0 17.1 1.0 O16 A:YU8303 3.2 20.4 0.8 O A:DMS304 3.2 43.6 1.0 O16 A:YU8303 3.3 22.6 0.2 HA2 A:GLY209 3.4 24.0 1.0 O A:HOH655 3.4 41.4 0.8 C11 A:YU8303 3.6 15.5 0.8 C09 A:YU8303 3.6 13.8 0.8 C18 A:YU8303 3.7 16.6 0.2 S14 A:YU8303 3.7 22.4 0.2 S14 A:YU8303 3.7 20.0 0.8 C09 A:YU8303 3.7 16.1 0.2 H131 A:YU8303 3.8 24.6 0.2 CE1 A:TYR67 3.8 14.3 1.0 H131 A:YU8303 3.9 22.2 0.8 C10 A:YU8303 4.1 14.1 0.8 C20 A:YU8303 4.2 16.6 0.2 HD1 A:TYR67 4.2 17.1 1.0 CA A:GLY209 4.3 20.1 1.0 S A:DMS304 4.4 41.9 1.0 CD1 A:TYR67 4.4 14.2 1.0 H061 A:YU8303 4.5 17.5 0.2 O A:HOH658 4.5 28.8 0.8 H061 A:YU8303 4.5 15.7 0.8 H111 A:YU8303 4.5 18.6 0.8 O17 A:YU8303 4.6 22.9 0.2 O A:HOH462 4.7 31.3 0.7 C A:GLY209 4.7 18.1 1.0 O17 A:YU8303 4.7 22.0 0.8 CZ A:TYR67 4.7 14.3 1.0 HA3 A:GLY209 4.8 24.0 1.0 F19 A:YU8303 4.8 13.6 0.2 H152 A:YU8303 4.8 22.6 0.8 OH A:TYR67 4.8 16.0 1.0 C08 A:YU8303 4.8 10.8 0.8 H153 A:YU8303 4.9 26.9 0.2 C08 A:YU8303 4.9 14.6 0.2 C15 A:YU8303 4.9 18.9 0.8 H A:GLY209 4.9 24.7 1.0 H11 A:DMS307 4.9 86.3 1.0 C15 A:YU8303 5.0 22.4 0.2

Fluorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2936


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 2936 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:13.6 occ:0.16 F19 A:YU8303 0.0 13.6 0.2 H111 A:YU8303 0.3 18.6 0.8 C11 A:YU8303 1.3 15.5 0.8 C18 A:YU8303 1.4 16.6 0.2 C10 A:YU8303 2.3 14.1 0.8 C20 A:YU8303 2.4 16.6 0.2 C12 A:YU8303 2.4 16.4 0.8 C12 A:YU8303 2.4 18.2 0.2 H151 A:YU8303 2.4 26.9 0.2 H131 A:YU8303 2.5 22.2 0.8 H153 A:YU8303 2.5 22.6 0.8 H131 A:YU8303 2.5 24.6 0.2 H101 A:YU8303 2.5 16.9 0.8 H201 A:YU8303 2.6 19.9 0.2 HB2 A:HIS240 2.7 14.5 1.0 O A:HOH457 2.7 12.4 0.6 C13 A:YU8303 2.9 18.6 0.8 C13 A:YU8303 2.9 20.5 0.2 C15 A:YU8303 3.2 22.4 0.2 C15 A:YU8303 3.2 18.9 0.8 H153 A:YU8303 3.2 26.9 0.2 H152 A:YU8303 3.2 22.6 0.8 O A:HOH498 3.3 12.6 0.9 O A:HOH616 3.3 21.9 0.8 CB A:HIS240 3.4 12.1 1.0 HD1 A:HIS201 3.4 21.4 1.0 HB3 A:HIS240 3.4 14.5 1.0 C09 A:YU8303 3.6 13.8 0.8 C18 A:YU8303 3.6 16.5 0.8 C09 A:YU8303 3.6 16.1 0.2 C11 A:YU8303 3.7 17.2 0.2 HE1 A:HIS201 3.7 23.3 1.0 S14 A:YU8303 3.7 22.4 0.2 S14 A:YU8303 3.8 20.0 0.8 H132 A:YU8303 3.8 22.2 0.8 H132 A:YU8303 3.8 24.6 0.2 CG A:HIS240 3.9 10.7 1.0 ND1 A:HIS201 4.0 17.9 1.0 C20 A:YU8303 4.1 15.5 0.8 H152 A:YU8303 4.1 26.9 0.2 C10 A:YU8303 4.1 16.9 0.2 CE1 A:HIS201 4.2 19.4 1.0 H151 A:YU8303 4.2 22.6 0.8 HD2 A:HIS240 4.2 13.2 1.0 CD2 A:HIS240 4.3 11.1 1.0 O A:HIS240 4.5 11.8 1.0 HA2 A:GLY209 4.5 24.0 1.0 HA3 A:GLY209 4.5 24.0 1.0 O23 A:YU8303 4.5 15.5 0.2 H111 A:YU8303 4.5 20.6 0.2 O A:HOH460 4.6 9.4 0.8 O A:HOH658 4.6 28.8 0.8 O23 A:YU8303 4.6 13.3 0.8 O16 A:YU8303 4.7 20.4 0.8 CA A:HIS240 4.7 10.1 1.0 O16 A:YU8303 4.7 22.6 0.2 C08 A:YU8303 4.7 10.8 0.8 C A:HIS240 4.8 10.5 1.0 ND1 A:HIS240 4.8 11.5 1.0 C08 A:YU8303 4.8 14.6 0.2 F19 A:YU8303 4.8 21.2 0.8 O17 A:YU8303 4.8 22.0 0.8 O17 A:YU8303 4.8 22.9 0.2 CA A:GLY209 5.0 20.1 1.0 HG2 A:GLU202 5.0 15.3 1.0 C22 A:YU8303 5.0 10.3 0.8 C22 A:YU8303 5.0 14.5 0.2

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2936 To Be Published.