Zinc in PDB 5qpd: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000293A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000293A, PDB code: 5qpd 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)	65.88 / 1.93
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.829, 57.829, 395.300, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 25.9

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000293A (pdb code 5qpd). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000293A, PDB code: 5qpd:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000293A


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 FMOPL000293A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:22.2 occ:0.95 O A:HOH547 1.9 28.8 1.0 O A:HOH601 2.0 34.1 1.0 OD2 A:ASP102 2.0 19.1 1.0 OD1 A:ASP98 2.1 15.9 0.6 O A:HOH525 2.2 24.7 1.0 OD2 A:ASP98 2.5 15.3 0.6 CG A:ASP98 2.7 14.9 0.6 CG A:ASP102 3.1 19.0 1.0 OD1 A:ASP102 3.4 20.0 1.0 CB A:ASP98 4.1 15.2 0.6 OD2 A:ASP170 4.1 25.5 1.0 OE1 A:GLN167 4.2 24.8 1.0 O A:HOH530 4.4 26.3 1.0 CB A:ASP102 4.4 18.8 1.0 O A:ASP98 4.4 16.4 0.6 CD A:GLN167 4.5 30.7 1.0 NE2 A:GLN167 4.5 30.0 1.0 CA A:ASP98 4.8 16.2 0.6 O A:HOH571 4.8 25.7 0.6 C A:ASP98 4.9 16.5 0.6

Zinc binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000293A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000293A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:46.7 occ:0.92 O A:HOH505 2.0 34.9 1.0 O A:HOH692 2.5 39.4 1.0 O A:HOH726 2.6 38.9 1.0 OD1 A:ASP250 3.1 52.0 0.6 CG A:ASP250 3.5 49.5 0.6 OD2 A:ASP250 3.7 44.9 0.6 OD1 A:ASP254 3.7 57.5 1.0 NE2 A:GLN247 3.8 35.1 1.0 OD2 A:ASP268 3.9 42.6 1.0 O A:ASP250 4.1 52.2 0.6 OD1 A:ASP268 4.3 35.6 1.0 OD1 A:ASP251 4.4 41.2 1.0 CG A:ASP254 4.4 61.1 1.0 CB A:ASP254 4.5 61.3 1.0 CB A:ASP250 4.5 47.6 0.6 CG A:ASP268 4.5 42.0 1.0 C A:ASP250 4.6 48.8 0.6 O A:HOH571 4.7 25.7 0.6 O A:HOH511 5.0 36.3 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.