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

Protein crystallography data

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

Other elements in 6r0b:

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

Chlorine Binding Sites:

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 6r0b

Go back to Chlorine Binding Sites List in 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

Reference:

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.
Page generated: Sat Dec 12 13:35:12 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy