Chlorine in PDB 6sii: T. Brucei Fpps in Complex with 1-((1H-Indol-3-Yl)Methyl)-N-(3- Chlorobenzyl)Piperidin-4-Amine

The structure of T. Brucei Fpps in Complex with 1-((1H-Indol-3-Yl)Methyl)-N-(3- Chlorobenzyl)Piperidin-4-Amine, PDB code: 6sii was solved by L.Muenzker, J.K.Petrick, C.Schleberger, W.Jahnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.04 / 2.33
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.631, 61.631, 342.247, 90.00, 90.00, 120.00
R / Rfree (%)	25 / 27.6

The binding sites of Chlorine atom in the T. Brucei Fpps in Complex with 1-((1H-Indol-3-Yl)Methyl)-N-(3- Chlorobenzyl)Piperidin-4-Amine (pdb code 6sii). 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. Brucei Fpps in Complex with 1-((1H-Indol-3-Yl)Methyl)-N-(3- Chlorobenzyl)Piperidin-4-Amine, PDB code: 6sii:

Chlorine binding site 1 out of 1 in the T. Brucei Fpps in Complex with 1-((1H-Indol-3-Yl)Methyl)-N-(3- Chlorobenzyl)Piperidin-4-Amine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T. Brucei Fpps in Complex with 1-((1H-Indol-3-Yl)Methyl)-N-(3- Chlorobenzyl)Piperidin-4-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:0.2 occ:0.86 CL A:LEZ401 0.0 0.2 0.9 C23 A:LEZ401 1.7 0.5 0.9 C24 A:LEZ401 2.7 0.9 0.9 C22 A:LEZ401 2.7 0.5 0.9 OE1 A:GLN252 3.3 92.6 1.0 CD A:GLN252 3.4 94.7 1.0 CG A:GLN252 3.6 81.5 1.0 CD A:LYS212 3.7 92.0 1.0 CG2 A:THR213 3.7 93.8 1.0 OG1 A:THR213 3.8 92.3 1.0 C21 A:LEZ401 4.0 0.6 0.9 C19 A:LEZ401 4.0 0.1 0.9 CA A:VAL209 4.1 76.4 1.0 NE2 A:GLN252 4.2 84.0 1.0 CG2 A:VAL209 4.2 80.4 1.0 CG2 A:ILE208 4.2 67.4 1.0 CB A:LYS212 4.3 74.6 1.0 CG A:LYS212 4.4 79.1 1.0 CB A:THR213 4.4 90.7 1.0 C20 A:LEZ401 4.5 0.5 0.9 N A:VAL209 4.5 75.8 1.0 CE A:LYS212 4.6 0.1 1.0 O A:ILE208 4.6 78.0 1.0 CB A:VAL209 4.7 80.9 1.0 C A:ILE208 4.7 77.1 1.0 CB A:GLN252 4.7 82.2 1.0 N A:THR213 5.0 76.4 1.0

L.Muenzker, W.Jahnke. T. Brucei Fpps To Be Published.