Zinc in PDB 5qqa: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000648A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000648A, PDB code: 5qqa 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)	66.16 / 2.20
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.809, 57.809, 396.974, 90.00, 90.00, 120.00
R / Rfree (%)	20.4 / 27.6

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000648A (pdb code 5qqa). 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 FMOOA000648A, PDB code: 5qqa:
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 FMOOA000648A


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 FMOOA000648A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:31.4 occ:0.73 O A:HOH525 1.9 40.3 1.0 OD2 A:ASP98 2.0 19.0 0.5 OD2 A:ASP102 2.1 25.0 1.0 O A:HOH674 2.1 39.8 1.0 O A:HOH583 2.2 36.6 1.0 CG A:ASP98 2.7 19.6 0.5 OD1 A:ASP98 2.7 19.8 0.5 CG A:ASP102 3.0 26.7 1.0 OD1 A:ASP102 3.2 29.2 1.0 NE2 A:GLN167 3.5 51.9 1.0 O A:HOH527 3.7 36.0 1.0 OD2 A:ASP170 4.1 33.3 1.0 CB A:ASP98 4.1 20.2 0.5 O A:ASP98 4.4 22.3 0.5 CD A:GLN167 4.4 44.1 1.0 CB A:ASP102 4.4 24.6 1.0 OE1 A:GLN167 4.4 42.2 1.0 NZ A:LYS273 4.7 72.7 1.0 CA A:ASP98 4.7 20.7 0.5 C A:ASP98 4.8 21.7 0.5

Zinc binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000648A


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 FMOOA000648A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:55.3 occ:0.56 O A:HOH705 1.8 49.6 1.0 O A:HOH689 1.9 53.5 1.0 O A:HOH658 2.2 48.7 1.0 O A:HOH504 2.4 44.9 1.0 OD2 A:ASP250 2.4 60.0 1.0 O A:ASP250 3.1 56.6 1.0 CG A:ASP250 3.4 65.7 1.0 OD1 A:ASP254 3.6 60.0 1.0 CB A:ASP254 4.0 71.1 1.0 C A:ASP250 4.0 55.9 1.0 OD1 A:ASP250 4.1 68.2 1.0 OD1 A:ASP268 4.2 53.0 1.0 CG A:ASP254 4.3 69.8 1.0 NE2 A:GLN247 4.5 32.9 1.0 CB A:ASP250 4.5 56.9 1.0 OD1 A:ASP251 4.6 52.0 1.0 OD2 A:ASP268 4.8 73.3 1.0 CA A:ASP250 4.8 51.3 1.0 N A:ASP251 4.8 51.5 1.0 CG A:ASP268 4.9 61.2 1.0 CA A:ASP254 4.9 67.6 1.0 CA A:ASP251 5.0 48.2 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.