Chlorine in PDB 6r0b: T. Cruzi Fpps in Complex with 3-((4-(5-Chlorobenzo[D]Thiazol-2-Yl) Piperazin-1-Yl)Methyl)-1H-Indol-5-Ol

The structure of T. Cruzi Fpps in Complex with 3-((4-(5-Chlorobenzo[D]Thiazol-2-Yl) Piperazin-1-Yl)Methyl)-1H-Indol-5-Ol, PDB code: 6r0b 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)	50.31 / 1.61
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.094, 58.094, 396.952, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 23

The structure of T. Cruzi Fpps in Complex with 3-((4-(5-Chlorobenzo[D]Thiazol-2-Yl) Piperazin-1-Yl)Methyl)-1H-Indol-5-Ol also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the T. Cruzi Fpps in Complex with 3-((4-(5-Chlorobenzo[D]Thiazol-2-Yl) Piperazin-1-Yl)Methyl)-1H-Indol-5-Ol (pdb code 6r0b). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the T. Cruzi Fpps in Complex with 3-((4-(5-Chlorobenzo[D]Thiazol-2-Yl) Piperazin-1-Yl)Methyl)-1H-Indol-5-Ol, PDB code: 6r0b:

Chlorine binding site 1 out of 1 in the T. Cruzi Fpps in Complex with 3-((4-(5-Chlorobenzo[D]Thiazol-2-Yl) Piperazin-1-Yl)Methyl)-1H-Indol-5-Ol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T. Cruzi Fpps in Complex with 3-((4-(5-Chlorobenzo[D]Thiazol-2-Yl) Piperazin-1-Yl)Methyl)-1H-Indol-5-Ol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:52.7 occ:0.73 CL A:JMW401 0.0 52.7 0.7 C24 A:JMW401 1.7 49.1 0.7 C22 A:JMW401 2.7 48.2 0.7 C25 A:JMW401 2.8 47.5 0.7 CG A:PHE321 3.2 42.0 1.0 CB A:PHE321 3.4 40.9 1.0 CD2 A:PHE321 3.5 43.0 1.0 CD1 A:PHE321 3.7 44.0 1.0 CG1 A:VAL252 3.8 36.1 1.0 C18 A:JMW401 4.0 48.6 0.7 C23 A:JMW401 4.1 47.8 0.7 CG2 A:VAL252 4.1 35.7 1.0 CE2 A:PHE321 4.1 45.9 1.0 CE1 A:PHE321 4.3 44.6 1.0 CB A:VAL252 4.4 36.7 1.0 CZ A:PHE321 4.5 43.6 1.0 C19 A:JMW401 4.5 48.7 0.7 CA A:GLN318 4.9 46.0 1.0 CA A:PHE321 5.0 38.7 1.0

J.K.Petrick, J.Wolfgang. T. Cruzi Fpps in Complex with 3-((4-(5-Chlorobenzo[D]Thiazol-2-Yl)Piperazin-1-Yl)Methyl) -1H-Indol-5-Ol To Be Published.