Chlorine in PDB 6r08: T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid

The structure of T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid, PDB code: 6r08 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)	48.62 / 1.44
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.895, 57.895, 398.225, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 21.3

The structure of T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid (pdb code 6r08). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid, PDB code: 6r08:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid


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-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:55.0 occ:0.61 CL1 A:GO1401 0.0 55.0 0.6 C2 A:GO1401 1.7 51.7 0.6 C12 A:GO1401 2.7 49.6 0.6 C3 A:GO1401 2.8 52.9 0.6 O A:TYR312 3.2 49.5 1.0 N4 A:GO1401 3.2 55.5 0.6 C A:TYR312 3.5 49.7 1.0 CZ A:PHE256 3.5 49.3 1.0 OE1 A:GLN318 3.7 62.2 1.0 CA A:SER313 3.7 50.7 1.0 N A:SER313 3.7 49.2 1.0 CE2 A:PHE256 3.7 50.7 1.0 CD A:GLN318 3.8 70.2 1.0 NE2 A:GLN318 3.8 64.6 1.0 C11 A:GO1401 4.0 50.0 0.6 CB A:LEU317 4.1 39.1 1.0 C8 A:GO1401 4.1 53.3 0.6 CB A:TYR312 4.2 40.3 1.0 N A:LEU317 4.3 40.4 1.0 OG A:SER313 4.3 66.8 1.0 CE1 A:PHE256 4.4 49.8 1.0 CA A:TYR312 4.4 41.2 1.0 N A:GLN318 4.5 42.3 1.0 C6 A:GO1401 4.5 57.5 0.6 CB A:SER313 4.6 55.3 1.0 CA A:LEU317 4.6 39.1 1.0 C9 A:GO1401 4.6 51.4 0.6 CG A:GLN318 4.7 55.2 1.0 CG A:LEU317 4.7 43.9 1.0 CD2 A:PHE256 4.7 48.2 1.0 C A:SER313 4.7 55.0 1.0 O A:SER313 4.8 55.5 1.0 C A:LEU317 4.9 43.4 1.0 CD1 A:LEU317 4.9 43.5 1.0

Chlorine binding site 2 out of 2 in the T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H- Indole-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:50.9 occ:0.61 CL14 A:GO1401 0.0 50.9 0.6 C11 A:GO1401 1.7 50.0 0.6 C12 A:GO1401 2.7 49.6 0.6 C9 A:GO1401 2.7 51.4 0.6 CB A:PHE321 3.4 41.5 1.0 CG1 A:VAL252 3.6 39.4 1.0 CG A:PHE321 3.8 43.1 1.0 CG2 A:VAL252 3.8 39.2 1.0 C8 A:GO1401 4.0 53.3 0.6 CA A:GLN318 4.0 43.3 1.0 C2 A:GO1401 4.0 51.7 0.6 O A:HOH578 4.0 74.6 1.0 O A:LEU317 4.1 43.2 1.0 CD1 A:PHE321 4.3 44.9 1.0 N A:GLN318 4.3 42.3 1.0 C A:LEU317 4.4 43.4 1.0 CZ3 A:TRP276 4.4 37.3 1.0 CB A:VAL252 4.4 39.7 1.0 CD2 A:PHE321 4.4 44.2 1.0 C3 A:GO1401 4.5 52.9 0.6 CG A:GLN318 4.6 55.2 1.0 CH2 A:TRP276 4.8 38.1 1.0 CB A:GLN318 4.8 45.1 1.0 CA A:PHE321 4.8 39.2 1.0 CD2 A:LEU277 4.9 37.3 1.0 C A:GLN318 5.0 46.8 1.0 O A:GLN318 5.0 46.0 1.0

J.K.Petrick, J.Wolfgang. T. Cruzi Fpps in Complex with 3-(Carboxymethyl)-5,7-Dichloro-1H-Indole-2CARBOXYLIC Acid To Be Published.