Chlorine in PDB 6r38: T. Brucei Fpps in Complex with 2-(2,5-Dichlorobenzo[B]Thiophen-3-Yl) Acetic Acid

The structure of T. Brucei Fpps in Complex with 2-(2,5-Dichlorobenzo[B]Thiophen-3-Yl) Acetic Acid, PDB code: 6r38 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)	56.66 / 2.33
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	60.839, 60.839, 339.990, 90.00, 90.00, 120.00
R / Rfree (%)	22.4 / 24.9

The binding sites of Chlorine atom in the T. Brucei Fpps in Complex with 2-(2,5-Dichlorobenzo[B]Thiophen-3-Yl) Acetic Acid (pdb code 6r38). 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. Brucei Fpps in Complex with 2-(2,5-Dichlorobenzo[B]Thiophen-3-Yl) Acetic Acid, PDB code: 6r38:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T. Brucei Fpps in Complex with 2-(2,5-Dichlorobenzo[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. Brucei Fpps in Complex with 2-(2,5-Dichlorobenzo[B]Thiophen-3-Yl) Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:95.4 occ:0.76 CL9 A:JQE401 0.0 95.4 0.8 C1 A:JQE401 1.8 90.1 0.8 C2 A:JQE401 2.7 87.9 0.8 S3 A:JQE401 3.0 85.1 0.8 C6 A:JQE401 3.1 86.2 0.8 CE1 A:PHE251 3.5 75.6 1.0 C4 A:JQE401 4.0 85.5 0.8 C5 A:JQE401 4.2 83.8 0.8 CZ A:PHE251 4.2 76.6 1.0 C7 A:JQE401 4.2 87.0 0.8 CD1 A:PHE251 4.5 75.0 1.0 O13 A:JQE401 4.7 88.1 0.8

Chlorine binding site 2 out of 2 in the T. Brucei Fpps in Complex with 2-(2,5-Dichlorobenzo[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. Brucei Fpps in Complex with 2-(2,5-Dichlorobenzo[B]Thiophen-3-Yl) Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:79.6 occ:0.76 CL5 A:JQE401 0.0 79.6 0.8 C12 A:JQE401 1.7 81.7 0.8 C8 A:JQE401 2.7 83.5 0.8 C14 A:JQE401 2.7 81.8 0.8 O A:THR217 3.1 61.8 1.0 CG2 A:THR217 3.5 57.7 1.0 CD1 A:LEU358 3.6 91.4 1.0 CG A:ARG50 4.0 51.5 1.0 C A:THR217 4.0 62.5 1.0 C4 A:JQE401 4.0 85.5 0.8 C10 A:JQE401 4.0 82.1 0.8 CB A:ASN49 4.2 70.7 1.0 N A:ARG50 4.2 67.0 1.0 C A:ASN49 4.2 71.8 1.0 CE1 A:TYR218 4.3 65.9 1.0 CA A:ARG50 4.3 65.9 1.0 O A:ASN49 4.3 71.7 1.0 CZ A:TYR218 4.4 74.9 1.0 CD1 A:TYR218 4.5 64.7 1.0 C5 A:JQE401 4.5 83.8 0.8 OG1 A:THR53 4.6 76.3 1.0 CA A:THR217 4.6 57.0 1.0 CB A:THR217 4.7 61.5 1.0 CB A:ARG50 4.8 60.3 1.0 CE2 A:TYR218 4.8 64.1 1.0 N A:TYR218 4.8 60.1 1.0 OH A:TYR218 4.9 76.5 1.0 CG A:TYR218 4.9 62.8 1.0 CA A:ASN49 4.9 68.5 1.0 CG A:LEU358 4.9 92.0 1.0 CD2 A:TYR218 5.0 63.2 1.0 CA A:TYR218 5.0 60.8 1.0

L.Muenzker, J.Wolfgang. T. Brucei Fpps in Complex with 2-(2,5-Dichlorobenzo[B]Thiophen-3-Yl)Acetic Acid To Be Published.