Zinc in PDB 6shv: T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine

The structure of T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine, PDB code: 6shv was solved by J.K.Petrick, L.Muenzker, C.Schleberger, I.Cornaciu, D.Clavel, J.A.Marquez, W.Jahnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.98 / 1.81
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.213, 58.213, 398.308, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 23

The structure of T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Zinc atom in the T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine (pdb code 6shv). 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 T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine, PDB code: 6shv:

Zinc binding site 1 out of 1 in the T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:30.3 occ:0.27 OD2 A:ASP102 1.9 45.8 1.0 O A:HOH511 2.0 42.0 1.0 OD2 A:ASP98 2.1 39.1 0.6 CG A:ASP102 2.8 40.1 1.0 CG A:ASP98 2.8 33.9 0.6 OD1 A:ASP98 2.8 36.3 0.6 OD1 A:ASP102 2.9 42.0 1.0 OE1 A:GLN167 3.8 31.2 1.0 NE2 A:GLN167 4.0 33.9 1.0 CB A:ASP98 4.2 19.4 0.4 CB A:ASP102 4.2 27.6 1.0 O A:HOH534 4.2 43.8 1.0 OD2 A:ASP170 4.2 38.6 1.0 CB A:ASP98 4.2 21.7 0.6 CD A:GLN167 4.4 38.5 1.0 O A:ASP98 4.4 22.1 0.4 O A:ASP98 4.5 22.3 0.6 CG A:ASP98 4.5 22.1 0.4 NZ A:LYS273 4.6 64.1 1.0 OD2 A:ASP98 4.6 28.9 0.4 CA A:ASP98 4.8 17.8 0.4 CA A:ASP98 4.8 19.3 0.6 CG1 A:VAL171 4.8 29.5 1.0 C3 A:LDW401 4.8 30.8 0.6 C A:ASP98 4.9 21.9 0.4 C A:ASP98 4.9 22.3 0.6 C4 A:LDW401 5.0 30.2 0.6

J.K.Petrick, J.Wolfgang. T. Cruzi Fpps-Ligand Complex To Be Published.