Zinc in PDB 5qpk: Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000586A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000586A, PDB code: 5qpk 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)	66.23 / 1.50
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.133, 58.133, 397.397, 90.00, 90.00, 120.00
R / Rfree (%)	20.3 / 24

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000586A (pdb code 5qpk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000586A, PDB code: 5qpk:

Zinc binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of T. Cruzi Fpps in Complex with FMOPL000586A


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 FMOPL000586A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:27.2 occ:0.53 O A:HOH507 1.9 55.5 1.0 OD2 A:ASP102 2.0 31.1 1.0 OD1 A:ASP98 2.1 17.4 0.6 O A:HOH501 2.4 15.7 1.0 OD2 A:ASP98 2.6 22.9 0.6 CG A:ASP98 2.6 18.2 0.6 CG A:ASP102 2.9 27.1 1.0 O A:HOH732 3.1 52.5 1.0 OD1 A:ASP102 3.1 29.3 1.0 O A:HOH571 3.7 52.4 1.0 NE2 A:GLN167 4.0 26.5 1.0 OE1 A:GLN167 4.1 32.5 1.0 CB A:ASP98 4.1 15.9 0.6 OD2 A:ASP170 4.1 30.2 1.0 O A:HOH509 4.2 50.9 1.0 CB A:ASP102 4.3 24.3 1.0 CD A:GLN167 4.5 26.1 1.0 O A:HOH620 4.5 30.1 1.0 O A:ASP98 4.7 18.5 0.6 NZ A:LYS273 4.7 35.9 1.0 CA A:ASP98 4.8 15.7 0.6 CG1 A:VAL171 4.9 29.2 1.0 O A:HOH659 5.0 39.9 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.