Zinc in PDB 5qpg: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000291A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000291A, PDB code: 5qpg 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 / 1.58
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.030, 58.030, 396.047, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 23.7

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000291A (pdb code 5qpg). 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 FMOPL000291A, PDB code: 5qpg:
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 FMOPL000291A


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 FMOPL000291A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:20.6 occ:0.80 OD1 A:ASP250 2.0 22.3 1.0 O A:HOH593 2.0 28.5 1.0 O A:HOH533 2.0 23.2 1.0 O4 A:SO4408 2.1 21.6 0.8 O A:HOH702 2.3 23.6 1.0 O A:HOH568 2.3 32.7 1.0 CG A:ASP250 3.0 24.4 1.0 S A:SO4408 3.3 22.9 0.8 OD2 A:ASP250 3.5 26.2 1.0 O1 A:SO4408 3.6 23.3 0.8 O2 A:SO4408 3.8 26.5 0.8 O A:HOH608 4.0 25.2 1.0 NE2 A:GLN247 4.1 21.0 1.0 O A:HOH509 4.1 28.4 0.8 OD1 A:ASP254 4.1 22.3 1.0 NZ A:LYS264 4.1 25.0 0.8 OD2 A:ASP268 4.2 20.2 1.0 O A:HOH638 4.2 36.8 0.8 CB A:ASP250 4.3 22.3 1.0 O A:HOH756 4.3 40.9 0.8 OD1 A:ASP251 4.4 22.9 1.0 O A:ASP250 4.4 18.8 1.0 O3 A:SO4408 4.5 21.6 0.8 OD1 A:ASP268 4.5 22.0 1.0 C A:ASP250 4.6 19.2 1.0 N1 A:AWV406 4.7 24.4 0.8 CG A:ASP268 4.7 22.6 1.0 CB A:ASP254 4.8 24.1 1.0 CG A:ASP254 4.8 22.2 1.0 C8 A:AWV406 4.8 23.0 0.8 N A:ASP251 4.9 19.7 1.0 O A:HOH653 5.0 32.6 1.0

Zinc binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000291A


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 FMOPL000291A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:20.5 occ:0.80 O A:HOH581 1.6 33.6 0.8 O A:HOH572 1.9 24.7 1.0 OD2 A:ASP102 2.0 21.6 1.0 OD1 A:ASP98 2.1 14.5 0.8 O A:HOH619 2.1 23.5 1.0 OD2 A:ASP98 2.6 17.1 0.8 CG A:ASP98 2.6 13.9 0.8 CG A:ASP102 3.0 21.8 1.0 OD1 A:ASP102 3.3 25.3 1.0 O A:HOH740 4.0 31.4 0.8 CB A:ASP98 4.1 13.4 0.8 O2 A:SO4408 4.2 26.5 0.8 NE2 A:GLN167 4.3 17.4 0.8 CB A:ASP102 4.4 20.8 1.0 O A:HOH528 4.4 25.2 1.0 OD2 A:ASP170 4.4 28.0 1.0 NZ A:LYS273 4.4 37.6 0.8 OE1 A:GLN167 4.4 19.7 0.8 O A:HOH548 4.5 21.5 0.8 O A:ASP98 4.6 16.5 0.8 CA A:ASP98 4.8 14.7 0.8 CD A:GLN167 4.8 18.2 0.8 O A:HOH756 4.9 40.9 0.8 C A:ASP98 5.0 14.7 0.8 C14 A:AWV406 5.0 19.6 0.8

J.K.Petrick, L.Muenzker, F.Von Delft, W.Jahnke. Pandda Analysis Group Deposition - Fpps Screened Against the Dsi Fragment Library To Be Published.