Zinc in PDB 5qpr: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with XST00001145B

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with XST00001145B, PDB code: 5qpr 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)	66.36 / 1.67
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.204, 58.204, 397.613, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 21.6

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with XST00001145B (pdb code 5qpr). 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 XST00001145B, PDB code: 5qpr:
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 XST00001145B


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 XST00001145B within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:30.2 occ:0.55 OD2 A:ASP102 1.8 33.3 1.0 O A:HOH518 1.9 39.5 1.0 O A:HOH509 2.0 58.7 1.0 OD1 A:ASP98 2.2 25.0 0.5 OD2 A:ASP98 2.6 28.5 0.5 CG A:ASP98 2.7 22.9 0.5 CG A:ASP102 2.7 29.4 1.0 OD1 A:ASP102 3.0 32.1 1.0 OE1 A:GLN167 3.7 36.4 1.0 NE2 A:GLN167 3.8 39.4 1.0 OD2 A:ASP170 4.1 34.8 1.0 CB A:ASP102 4.1 25.8 1.0 O A:HOH554 4.2 38.1 1.0 CB A:ASP98 4.2 21.6 0.5 CD A:GLN167 4.2 34.4 1.0 O A:ASP98 4.5 20.1 0.5 CA A:ASP98 4.8 21.0 0.5 CG1 A:VAL171 4.9 30.3 1.0 NZ A:LYS273 4.9 43.7 1.0 C A:ASP98 5.0 20.4 0.5

Zinc binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with XST00001145B


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 XST00001145B within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:37.2 occ:0.40 O A:HOH552 2.0 48.7 1.0 O A:HOH697 2.1 54.9 1.0 O A:HOH523 2.1 38.2 1.0 O A:HOH556 2.4 43.8 1.0 OD1 A:ASP250 2.5 66.3 1.0 CG A:ASP250 3.6 59.7 1.0 O A:HOH528 3.8 44.3 1.0 OD2 A:ASP254 4.0 39.6 1.0 OD2 A:ASP268 4.1 36.7 1.0 NE2 A:GLN247 4.1 28.2 1.0 NZ A:LYS264 4.2 40.7 0.5 OD1 A:ASP268 4.3 30.9 1.0 OD2 A:ASP250 4.3 69.0 1.0 OD1 A:ASP251 4.4 30.0 1.0 O A:ASP250 4.4 37.6 1.0 O A:HOH786 4.5 68.5 1.0 CB A:ASP250 4.5 43.4 1.0 CB A:ASP254 4.5 34.8 1.0 CG A:ASP254 4.6 39.5 1.0 CG A:ASP268 4.6 36.9 1.0 C A:ASP250 4.6 33.6 1.0 N A:ASP251 5.0 33.3 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.