Zinc in PDB 5qpe: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000295A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000295A, PDB code: 5qpe 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)	65.90 / 1.77
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.861, 57.861, 395.379, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 24.7

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000295A (pdb code 5qpe). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000295A, PDB code: 5qpe:

Zinc binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000295A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000295A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:19.2 occ:0.64 O A:HOH543 1.7 28.4 1.0 O A:HOH504 1.7 37.1 1.0 O A:HOH603 2.0 30.2 1.0 OD1 A:ASP98 2.0 9.8 0.5 OD2 A:ASP102 2.0 25.1 1.0 OD2 A:ASP98 2.5 11.1 0.5 CG A:ASP98 2.6 10.8 0.5 CG A:ASP102 3.0 23.1 1.0 OD1 A:ASP102 3.3 25.5 1.0 OD2 A:ASP170 4.0 24.9 1.0 O A:HOH605 4.1 29.9 1.0 CB A:ASP98 4.1 11.2 0.5 O A:HOH772 4.3 45.0 1.0 O A:HOH695 4.3 51.7 1.0 NE2 A:GLN167 4.4 9.6 0.5 OE1 A:GLN167 4.4 10.1 0.5 CB A:ASP102 4.4 20.1 1.0 NZ A:LYS273 4.5 31.7 1.0 O A:ASP98 4.5 11.6 0.5 O A:HOH746 4.7 47.5 1.0 CA A:ASP98 4.7 12.0 0.5 CD A:GLN167 4.8 10.4 0.5 C A:ASP98 4.9 12.5 0.5

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