Fluorine in PDB 5qqb: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000676A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000676A, PDB code: 5qqb 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)	65.80 / 1.58
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.762, 57.762, 394.812, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 23

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000676A 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 FMOOA000676A (pdb code 5qqb). 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 FMOOA000676A, PDB code: 5qqb:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000676A


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 FMOOA000676A within 5.0Å range: probe atom residue distance (Å) B Occ A:F406 b:26.8 occ:0.66 F A:LZY406 0.0 26.8 0.7 C4 A:LZY406 1.3 25.4 0.7 C3 A:LZY406 2.3 24.6 0.7 C5 A:LZY406 2.3 24.0 0.7 N A:VAL159 3.1 15.8 1.0 C A:LYS158 3.2 16.8 0.7 CG2 A:VAL159 3.2 17.9 1.0 CA A:VAL159 3.2 18.1 1.0 CD1 A:PHE210 3.3 22.0 1.0 O A:LYS158 3.4 15.9 0.7 CB A:LYS158 3.4 19.8 0.7 C6 A:LZY406 3.6 26.1 0.7 C2 A:LZY406 3.6 26.5 0.7 CE1 A:PHE210 3.7 24.4 1.0 CB A:VAL159 3.9 17.0 1.0 CA A:LYS158 3.9 19.0 0.7 C7 A:LZY406 4.1 27.4 0.7 CG A:PHE210 4.1 17.3 1.0 CB A:ALA162 4.2 17.7 1.0 CB A:PHE210 4.5 17.1 1.0 C A:VAL159 4.5 19.6 1.0 O A:LEU155 4.5 17.1 1.0 CG A:LYS158 4.6 22.8 0.7 CZ A:PHE210 4.7 21.1 1.0 CD A:LYS158 4.7 23.4 0.7 C1 A:LZY406 4.8 28.5 0.7 O A:VAL159 4.9 17.7 1.0 CG1 A:VAL159 4.9 15.7 1.0 CD2 A:LEU214 4.9 27.6 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.