Fluorine in PDB 5qpm: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000500A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000500A, PDB code: 5qpm was solved by J.K.Petrick, E.R.Nelson, L.Muenzker, T.Krojer, A.Douangamath, J.Brandao-Neto, F.Von Delft, C.Dekker, W.Jahnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.92 / 1.68
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.977, 57.977, 395.530, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 25.4

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000500A also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000500A (pdb code 5qpm). 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 Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000500A, PDB code: 5qpm:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000500A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000500A within 5.0Å range: probe atom residue distance (Å) B Occ A:F407 b:39.2 occ:0.72 F A:LV1407 0.0 39.2 0.7 C10 A:LV1407 1.3 36.7 0.7 C11 A:LV1407 2.4 36.4 0.7 C9 A:LV1407 2.4 36.1 0.7 CD2 A:TYR200 3.2 19.1 1.0 CG A:TYR200 3.3 18.8 1.0 CB A:TYR200 3.5 19.7 1.0 CG1 A:VAL279 3.6 22.8 1.0 CA A:PRO197 3.6 21.6 1.0 C8 A:LV1407 3.6 36.7 0.7 C12 A:LV1407 3.6 36.8 0.7 CD1 A:TRP276 3.8 25.0 1.0 CB A:VAL279 3.9 22.5 1.0 CE2 A:TYR200 4.0 20.1 1.0 C7 A:LV1407 4.1 37.7 0.7 O A:PRO197 4.1 20.3 1.0 CB A:PRO197 4.1 22.6 1.0 CD1 A:TYR200 4.3 21.1 1.0 CG2 A:VAL279 4.4 24.2 1.0 C A:PRO197 4.4 20.5 1.0 N A:PRO197 4.4 20.4 1.0 O A:THR196 4.5 17.3 1.0 NE1 A:TRP276 4.5 26.3 1.0 CG A:PRO197 4.7 24.1 1.0 CA A:TRP276 4.7 25.0 1.0 CG A:TRP276 4.8 23.7 1.0 CZ A:TYR200 4.8 18.6 1.0 C A:THR196 4.8 23.4 1.0 CA A:TYR200 4.9 18.6 1.0 CE1 A:TYR200 4.9 19.6 1.0

J.K.Petrick, L.Muenzker, F.Von Delft, W.Jahnke. Pandda Analysis Group Deposition - Fpps Screened Against the Dsi Fragment Library To Be Published.