Chlorine in PDB 6r07: T. Cruzi Fpps in Complex with 2-(5-Chlorobenzo[B]Thiophen-3-Yl)Acetic Acid

The structure of T. Cruzi Fpps in Complex with 2-(5-Chlorobenzo[B]Thiophen-3-Yl)Acetic Acid, PDB code: 6r07 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)	50.09 / 1.57
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.839, 57.839, 394.505, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 21.4

The structure of T. Cruzi Fpps in Complex with 2-(5-Chlorobenzo[B]Thiophen-3-Yl)Acetic 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 2-(5-Chlorobenzo[B]Thiophen-3-Yl)Acetic Acid (pdb code 6r07). 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 2-(5-Chlorobenzo[B]Thiophen-3-Yl)Acetic Acid, PDB code: 6r07:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T. Cruzi Fpps in Complex with 2-(5-Chlorobenzo[B]Thiophen-3-Yl)Acetic 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 2-(5-Chlorobenzo[B]Thiophen-3-Yl)Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:37.7 occ:0.82 CL1 A:3N2401 0.0 37.7 0.8 C2 A:3N2401 1.7 31.6 0.8 C3 A:3N2401 2.7 30.8 0.8 C20 A:3N2401 2.7 32.4 0.8 C11 A:3N2402 3.4 42.6 0.6 C8 A:3N2402 3.6 40.5 0.6 CD1 A:LEU155 3.7 31.1 1.0 CD2 A:LEU214 3.8 33.2 1.0 C14 A:3N2402 3.8 43.1 0.6 O16 A:3N2402 3.8 41.6 0.6 C10 A:3N2402 3.9 41.0 0.6 C5 A:3N2401 4.0 29.6 0.8 CG2 A:VAL159 4.0 25.4 1.0 C18 A:3N2401 4.0 30.0 0.8 CD1 A:PHE210 4.5 30.1 1.0 C6 A:3N2401 4.5 30.4 0.8 CG A:LEU214 4.6 29.7 1.0 CE1 A:PHE210 4.7 31.8 1.0 CB A:LYS158 4.7 26.5 1.0 O15 A:3N2402 4.7 45.5 0.6 O A:LEU155 4.9 26.0 1.0

Chlorine binding site 2 out of 2 in the T. Cruzi Fpps in Complex with 2-(5-Chlorobenzo[B]Thiophen-3-Yl)Acetic 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 2-(5-Chlorobenzo[B]Thiophen-3-Yl)Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:50.4 occ:0.59 CL1 A:3N2402 0.0 50.4 0.6 C2 A:3N2402 1.7 43.7 0.6 C3 A:3N2402 2.7 40.6 0.6 C20 A:3N2402 2.7 42.7 0.6 CB A:ALA227 3.4 40.5 1.0 CD2 A:LEU222 3.6 34.4 1.0 CE A:MET232 3.7 43.0 1.0 C5 A:3N2402 4.0 40.1 0.6 C18 A:3N2402 4.0 41.5 0.6 C6 A:3N2402 4.5 40.1 0.6 CG A:LEU222 4.5 29.8 1.0 CG1 A:VAL218 4.6 28.3 1.0 SD A:MET232 4.7 45.1 1.0 CG A:MET232 4.7 40.4 1.0 CA A:ALA227 4.8 38.8 1.0 OD2 A:ASP151 4.9 40.1 1.0 O A:HOH592 5.0 45.5 1.0

J.K.Petrick, J.Wolfgang. To Be Determined To Be Published.