Zinc in PDB 5qq1: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000699A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000699A, PDB code: 5qq1 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)	66.14 / 1.97
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.775, 57.775, 396.812, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 25.4

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000699A (pdb code 5qq1). 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 FMOPL000699A, PDB code: 5qq1:
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 FMOPL000699A


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 FMOPL000699A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:28.2 occ:0.60 O A:HOH510 1.7 45.5 1.0 O A:HOH615 2.0 47.3 1.0 OD2 A:ASP102 2.0 27.5 1.0 OD1 A:ASP98 2.2 18.8 0.5 O A:HOH573 2.2 35.7 1.0 OD2 A:ASP98 2.5 17.2 0.5 CG A:ASP98 2.6 17.8 0.5 CG A:ASP102 2.9 26.9 1.0 OD1 A:ASP102 3.1 27.2 1.0 NE2 A:GLN167 3.4 48.5 1.0 O A:HOH521 3.8 33.0 1.0 OD2 A:ASP170 4.1 29.3 1.0 CB A:ASP98 4.1 17.7 0.5 OE1 A:GLN167 4.2 42.2 1.0 CD A:GLN167 4.2 47.2 1.0 CB A:ASP102 4.3 24.3 1.0 O A:ASP98 4.5 17.1 0.5 NZ A:LYS273 4.6 65.7 1.0 CA A:ASP98 4.7 18.0 0.5 C A:ASP98 4.9 18.0 0.5

Zinc binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000699A


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 FMOPL000699A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:51.9 occ:0.62 O A:HOH519 2.1 53.2 1.0 O A:HOH512 2.3 45.1 1.0 O A:HOH727 2.3 62.6 1.0 OD1 A:ASP254 3.7 48.4 1.0 OD2 A:ASP250 3.8 52.1 0.5 CG A:ASP250 3.8 52.0 0.5 O A:ASP250 3.8 47.3 0.5 OD1 A:ASP250 3.9 54.9 0.5 OD2 A:ASP268 4.0 53.4 1.0 NE2 A:GLN247 4.2 35.8 1.0 CB A:ASP254 4.3 58.1 1.0 OD1 A:ASP268 4.4 41.4 1.0 CG A:ASP254 4.4 58.9 1.0 C A:ASP250 4.4 46.1 0.5 CB A:ASP250 4.5 48.3 0.5 OD1 A:ASP251 4.6 37.8 1.0 CG A:ASP268 4.6 44.8 1.0 N A:ASP251 5.0 45.4 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.