Zinc in PDB 5qq7: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000562A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000562A, PDB code: 5qq7 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)	66.01 / 1.61
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.759, 57.759, 396.037, 90.00, 90.00, 120.00
R / Rfree (%)	19.2 / 23.3

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000562A (pdb code 5qq7). 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 FMOOA000562A, PDB code: 5qq7:
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 FMOOA000562A


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 FMOOA000562A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:21.4 occ:0.60 O A:HOH543 1.8 39.3 1.0 OD2 A:ASP102 2.0 24.8 1.0 OD1 A:ASP98 2.1 15.5 0.5 O A:HOH648 2.1 32.6 1.0 OD2 A:ASP98 2.6 14.9 0.5 CG A:ASP98 2.6 14.1 0.5 CG A:ASP102 3.0 22.1 1.0 OD1 A:ASP102 3.2 24.1 1.0 OD2 A:ASP170 4.1 29.7 1.0 CB A:ASP98 4.1 14.6 0.5 O A:HOH635 4.2 31.0 1.0 CB A:ASP102 4.4 20.6 1.0 NE2 A:GLN167 4.4 16.0 0.5 OE1 A:GLN167 4.4 18.5 0.5 O A:ASP98 4.5 16.6 0.5 CA A:ASP98 4.7 15.5 0.5 NZ A:LYS273 4.8 42.0 1.0 CD A:GLN167 4.8 17.1 0.5 C A:ASP98 4.9 16.0 0.5

Zinc binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOOA000562A


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 FMOOA000562A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:25.5 occ:0.54 O A:HOH508 1.8 38.4 1.0 O A:HOH695 1.9 34.6 1.0 O A:HOH517 2.0 32.2 1.0 OD1 A:ASP250 2.0 41.2 1.0 O A:HOH654 2.1 32.7 1.0 CG A:ASP250 3.1 40.9 1.0 OD2 A:ASP250 3.5 48.6 1.0 O A:HOH633 3.8 43.1 1.0 OD2 A:ASP254 3.9 30.5 1.0 NE2 A:GLN247 4.0 29.1 1.0 OD2 A:ASP268 4.1 30.2 1.0 NZ A:LYS264 4.1 36.2 0.5 O A:ASP250 4.3 28.7 1.0 OD1 A:ASP251 4.3 26.5 1.0 OD1 A:ASP268 4.3 30.4 1.0 CB A:ASP250 4.4 30.0 1.0 CB A:ASP254 4.5 30.6 1.0 CG A:ASP254 4.5 33.5 1.0 C A:ASP250 4.6 28.8 1.0 CG A:ASP268 4.6 33.0 1.0 N A:ASP251 5.0 27.4 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.