Zinc in PDB 5qpj: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000465A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000465A, PDB code: 5qpj 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)	65.96 / 1.41
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.955, 57.955, 395.753, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 22.6

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000465A (pdb code 5qpj). 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 FMOPL000465A, PDB code: 5qpj:
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 FMOPL000465A


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 FMOPL000465A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:19.7 occ:0.53 O A:HOH575 1.9 30.8 1.0 OD2 A:ASP102 2.0 22.7 1.0 OD1 A:ASP98 2.0 17.7 0.7 O A:HOH583 2.4 37.0 1.0 OD2 A:ASP98 2.6 20.5 0.7 CG A:ASP98 2.6 16.7 0.7 O A:HOH615 2.7 38.2 1.0 CG A:ASP102 2.8 17.9 1.0 OD1 A:ASP102 3.1 20.5 1.0 O A:HOH740 4.0 41.8 1.0 OD2 A:ASP170 4.0 25.2 1.0 CB A:ASP98 4.1 14.6 0.7 CB A:ASP102 4.2 16.5 1.0 O A:HOH559 4.3 28.1 1.0 OE1 A:GLN167 4.3 18.7 0.7 NE2 A:GLN167 4.4 17.5 0.7 O A:ASP98 4.6 13.3 0.7 O A:HOH780 4.6 22.7 0.7 NZ A:LYS273 4.7 28.6 1.0 CD A:GLN167 4.8 17.7 0.7 CA A:ASP98 4.8 12.9 0.7 CG1 A:VAL171 4.8 24.6 1.0 C A:ASP98 4.9 12.1 0.7

Zinc binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000465A


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 FMOPL000465A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:25.0 occ:0.42 O A:HOH701 1.9 35.7 1.0 O A:HOH514 2.0 25.6 1.0 O A:HOH549 2.1 33.1 0.7 OD1 A:ASP250 2.1 38.6 0.7 O A:HOH548 2.3 28.6 1.0 O A:HOH529 2.4 36.0 0.7 CG A:ASP250 2.9 30.8 0.7 OD2 A:ASP250 3.1 40.9 0.7 O A:HOH806 3.9 52.2 1.0 OD2 A:ASP254 3.9 24.2 1.0 O A:HOH581 3.9 35.3 1.0 OD2 A:ASP268 4.0 23.7 1.0 NE2 A:GLN247 4.1 20.5 1.0 OD1 A:ASP268 4.3 23.8 1.0 CB A:ASP250 4.3 27.1 0.7 NZ A:LYS264 4.4 36.1 0.7 OD1 A:ASP251 4.4 19.3 1.0 CB A:ASP254 4.5 23.9 1.0 CG A:ASP254 4.5 26.7 1.0 O A:ASP250 4.6 22.4 0.7 CG A:ASP268 4.6 23.6 1.0 C A:ASP250 4.6 21.3 0.7 N A:ASP251 4.9 20.9 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.