Zinc in PDB 6r09: T. Cruzi Fpps in Complex with 2-(4-((1H-Indol-3-Yl)Methyl)Piperazin-1- Yl)Benzo[D]Thiazole

The structure of T. Cruzi Fpps in Complex with 2-(4-((1H-Indol-3-Yl)Methyl)Piperazin-1- Yl)Benzo[D]Thiazole, PDB code: 6r09 was solved by J.K.Petrick, L.Muenzker, C.Schleberger, W.Jahnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.18 / 1.28
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.105, 58.105, 397.072, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 23.2

The binding sites of Zinc atom in the T. Cruzi Fpps in Complex with 2-(4-((1H-Indol-3-Yl)Methyl)Piperazin-1- Yl)Benzo[D]Thiazole (pdb code 6r09). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the T. Cruzi Fpps in Complex with 2-(4-((1H-Indol-3-Yl)Methyl)Piperazin-1- Yl)Benzo[D]Thiazole, PDB code: 6r09:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the T. Cruzi Fpps in Complex with 2-(4-((1H-Indol-3-Yl)Methyl)Piperazin-1- Yl)Benzo[D]Thiazole


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 2-(4-((1H-Indol-3-Yl)Methyl)Piperazin-1- Yl)Benzo[D]Thiazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:22.7 occ:0.37 OD2 A:ASP250 2.0 38.9 1.0 O A:HOH541 2.0 33.3 0.8 O A:HOH503 2.0 24.0 0.8 O A:HOH506 2.1 29.1 0.7 O A:HOH547 2.2 25.6 0.6 CG A:ASP250 3.1 35.4 1.0 OD1 A:ASP250 3.6 39.0 1.0 O A:HOH565 4.0 36.0 1.0 OD1 A:ASP254 4.0 31.4 1.0 OD2 A:ASP268 4.1 28.2 1.0 NE2 A:GLN247 4.2 23.9 1.0 OD1 A:ASP268 4.4 26.7 1.0 O A:ASP250 4.4 26.9 1.0 CB A:ASP250 4.4 25.2 1.0 OD1 A:ASP251 4.5 23.5 1.0 NZ A:LYS264 4.5 76.2 1.0 CB A:ASP254 4.6 26.7 1.0 C A:ASP250 4.6 26.1 1.0 CG A:ASP254 4.6 27.8 1.0 CG A:ASP268 4.7 27.8 1.0

Zinc binding site 2 out of 2 in the T. Cruzi Fpps in Complex with 2-(4-((1H-Indol-3-Yl)Methyl)Piperazin-1- Yl)Benzo[D]Thiazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of T. Cruzi Fpps in Complex with 2-(4-((1H-Indol-3-Yl)Methyl)Piperazin-1- Yl)Benzo[D]Thiazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:22.0 occ:0.40 OD1 A:ASP98 2.0 18.9 0.5 OD2 A:ASP102 2.1 31.9 1.0 O A:HOH523 2.2 34.0 0.8 CG A:ASP98 2.7 18.8 0.5 OD2 A:ASP98 2.7 21.6 0.5 CG A:ASP102 3.0 26.8 1.0 OD1 A:ASP102 3.2 29.1 1.0 OE1 A:GLN167 3.9 35.7 1.0 NE2 A:GLN167 4.0 36.0 1.0 CB A:ASP98 4.0 19.4 0.5 OD2 A:ASP170 4.0 31.1 1.0 CB A:ASP98 4.1 16.9 0.5 O A:HOH516 4.3 33.1 1.0 O A:ASP98 4.4 18.6 0.5 CD A:GLN167 4.4 42.5 1.0 CB A:ASP102 4.4 22.2 1.0 CG A:ASP98 4.5 22.3 0.5 O A:ASP98 4.6 15.7 0.5 NZ A:LYS273 4.6 33.2 1.0 OD2 A:ASP98 4.7 23.9 0.5 CA A:ASP98 4.8 17.2 0.5 CA A:ASP98 4.8 15.4 0.5 C A:ASP98 4.9 18.6 0.5 C A:ASP98 5.0 16.6 0.5

J.K.Petrick, J.Wolfgang. T. Cruzi Fpps in Complex with 2-(4-((1H-Indol-3-Yl)Methyl)Piperazin-1-Yl)Benzo[D]Thiazole To Be Published.