Zinc in PDB 5qq0: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with XST00000046B

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with XST00000046B, PDB code: 5qq0 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)	65.84 / 1.60
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.775, 57.775, 395.052, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 22

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with XST00000046B (pdb code 5qq0). 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 XST00000046B, PDB code: 5qq0:
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 XST00000046B


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 XST00000046B within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:16.6 occ:0.60 O A:HOH518 1.7 34.2 1.0 OD2 A:ASP102 2.0 23.6 1.0 OD2 A:ASP98 2.0 11.3 0.5 O A:HOH580 2.1 31.1 1.0 O A:HOH597 2.1 36.9 1.0 CG A:ASP98 2.6 12.0 0.5 OD1 A:ASP98 2.7 12.2 0.5 CG A:ASP102 2.9 21.1 1.0 O A:HOH711 2.9 24.1 0.5 OD1 A:ASP102 3.2 20.7 1.0 OD2 A:ASP170 4.1 25.5 1.0 CB A:ASP98 4.1 12.3 0.5 O A:HOH593 4.2 27.5 1.0 OE1 A:GLN167 4.3 12.1 0.5 CB A:ASP102 4.3 18.6 1.0 NE2 A:GLN167 4.4 12.9 0.5 O A:HOH779 4.4 33.3 1.0 O A:ASP98 4.5 13.7 0.5 NZ A:LYS273 4.7 34.9 1.0 CA A:ASP98 4.7 13.1 0.5 CD A:GLN167 4.8 12.3 0.5 C A:ASP98 4.9 13.8 0.5 O A:HOH770 4.9 33.0 0.5

Zinc binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with XST00000046B


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 XST00000046B within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:27.1 occ:0.47 O A:HOH716 2.0 40.2 1.0 O A:HOH510 2.0 30.4 1.0 O A:HOH543 2.0 42.5 1.0 OD2 A:ASP250 2.1 51.7 1.0 O A:HOH600 2.3 36.2 1.0 CG A:ASP250 3.1 45.2 1.0 OD1 A:ASP250 3.4 62.9 1.0 O A:HOH517 3.8 39.5 1.0 OD1 A:ASP254 3.9 28.0 1.0 OD2 A:ASP268 4.0 29.6 1.0 NE2 A:GLN247 4.0 24.7 1.0 O A:ASP250 4.3 30.1 1.0 OD1 A:ASP251 4.4 22.1 1.0 OD1 A:ASP268 4.4 24.7 1.0 CB A:ASP250 4.4 34.8 1.0 CB A:ASP254 4.5 28.2 1.0 CG A:ASP254 4.5 29.5 1.0 C A:ASP250 4.6 30.8 1.0 CG A:ASP268 4.7 32.1 1.0 N A:ASP251 4.9 26.0 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.