Zinc in PDB 5qpz: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000524A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000524A, PDB code: 5qpz 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)	65.77 / 1.62
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.845, 57.845, 394.627, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 24.4

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000524A (pdb code 5qpz). 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 FMOPL000524A, PDB code: 5qpz:
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 FMOPL000524A


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 FMOPL000524A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:19.2 occ:0.59 O A:HOH568 1.9 34.2 0.7 OD2 A:ASP98 2.0 18.3 0.7 O A:HOH530 2.1 29.3 0.7 O A:HOH577 2.1 32.0 0.7 OD2 A:ASP102 2.1 25.1 1.0 O A:HOH580 2.5 41.7 0.7 CG A:ASP98 2.7 18.0 0.7 OD1 A:ASP98 2.7 20.8 0.7 CG A:ASP102 3.1 21.4 1.0 OD1 A:ASP102 3.3 26.1 1.0 O A:HOH693 3.8 43.4 0.7 OD2 A:ASP170 4.0 28.2 1.0 O A:HOH589 4.1 28.6 1.0 CB A:ASP98 4.1 17.6 0.7 O A:HOH505 4.3 27.1 0.7 OE1 A:GLN167 4.3 22.4 0.7 NE2 A:GLN167 4.4 19.5 0.7 CB A:ASP102 4.4 21.3 1.0 O A:ASP98 4.5 17.1 0.7 CA A:ASP98 4.8 17.7 0.7 NZ A:LYS273 4.8 36.4 1.0 CD A:GLN167 4.8 18.5 0.7 C A:ASP98 5.0 17.0 0.7

Zinc binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000524A


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 FMOPL000524A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn406 b:28.6 occ:0.52 O A:HOH554 1.9 40.6 0.7 O A:HOH566 2.0 50.7 0.7 OD2 A:ASP250 2.1 37.5 0.7 O A:HOH673 2.3 30.6 0.7 O A:HOH524 2.9 39.0 0.7 CG A:ASP250 3.0 39.0 0.7 OD1 A:ASP250 3.2 43.4 0.7 NE2 A:GLN247 4.0 28.7 1.0 OD2 A:ASP268 4.0 31.5 1.0 OD1 A:ASP254 4.0 34.5 1.0 O A:ASP250 4.2 30.6 0.7 OD1 A:ASP268 4.3 30.1 1.0 NZ A:LYS264 4.3 42.2 0.7 OD1 A:ASP251 4.3 27.5 1.0 CB A:ASP250 4.4 32.8 0.7 C A:ASP250 4.5 31.3 0.7 CG A:ASP254 4.6 38.8 1.0 CG A:ASP268 4.6 31.1 1.0 CB A:ASP254 4.6 32.7 1.0 N A:ASP251 4.9 29.1 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.