Fluorine in PDB 8pa4: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2526

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2526, PDB code: 8pa4 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)	34.15 / 1.11
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.57, 67.92, 40.24, 90, 93.28, 90
R / Rfree (%)	12.1 / 12.9

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2526 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 2526 (pdb code 8pa4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2526, PDB code: 8pa4:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2526


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 2526 within 5.0Å range: probe atom residue distance (Å) B Occ A:F303 b:16.1 occ:1.00 F26 A:XN6303 0.0 16.1 1.0 C25 A:XN6303 1.4 14.5 1.0 C27 A:XN6303 2.4 12.9 1.0 C19 A:XN6303 2.4 14.5 1.0 H271 A:XN6303 2.6 15.5 1.0 H211 A:XN6303 2.7 21.2 1.0 HB2 A:HIS240 2.8 12.7 1.0 N21 A:XN6303 2.8 17.6 1.0 C20 A:XN6303 2.9 16.0 1.0 H202 A:XN6303 2.9 19.2 1.0 O A:HOH470 3.0 16.3 0.7 HE1 A:HIS201 3.3 20.5 1.0 HB3 A:HIS240 3.4 12.7 1.0 HD1 A:HIS201 3.4 20.1 1.0 CB A:HIS240 3.4 10.6 1.0 O A:HOH527 3.5 14.5 0.5 O A:HOH510 3.5 11.3 0.8 C18 A:XN6303 3.6 14.2 1.0 C16 A:XN6303 3.6 12.6 1.0 O A:HOH418 3.7 21.9 0.4 C22 A:XN6303 3.8 18.6 1.0 CG A:HIS240 3.9 10.0 1.0 CE1 A:HIS201 3.9 17.1 1.0 H201 A:XN6303 3.9 19.2 1.0 ND1 A:HIS201 4.0 16.7 1.0 C17 A:XN6303 4.1 13.3 1.0 HA2 A:GLY209 4.3 20.6 1.0 HA3 A:GLY209 4.3 20.6 1.0 HD2 A:HIS240 4.3 12.1 1.0 CD2 A:HIS240 4.4 10.1 1.0 N23 A:XN6303 4.4 19.9 1.0 H181 A:XN6303 4.5 17.1 1.0 O13 A:XN6303 4.7 12.1 1.0 O A:HIS240 4.7 10.9 1.0 H241 A:XN6303 4.7 22.4 1.0 N24 A:XN6303 4.7 18.6 1.0 O A:HOH463 4.7 9.7 0.8 ND1 A:HIS240 4.8 10.6 1.0 CA A:GLY209 4.8 17.2 1.0 CA A:HIS240 4.8 10.2 1.0 C15 A:XN6303 4.8 11.6 1.0 C A:HIS240 4.9 10.5 1.0 O A:HOH535 5.0 10.8 0.7 HD1 A:HIS240 5.0 12.7 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 2526 To Be Published.