Zinc 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:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the T. Cruzi Fpps in Complex with 2-(5-Chlorobenzo[B]Thiophen-3-Yl)Acetic Acid, PDB code: 6r07:
Jump to Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn403 b:25.3 occ:0.74 O A:HOH523 1.9 43.1 1.0 O A:HOH641 2.0 47.7 1.0 OD2 A:ASP102 2.0 31.0 1.0 OD1 A:ASP98 2.1 26.9 1.0 O A:HOH537 2.1 35.9 1.0 OD2 A:ASP98 2.6 32.0 1.0 CG A:ASP98 2.7 26.7 1.0 CG A:ASP102 3.0 29.5 1.0 OD1 A:ASP102 3.3 29.4 1.0 OD2 A:ASP170 4.1 38.9 1.0 CB A:ASP98 4.1 21.7 1.0 O A:HOH563 4.2 37.8 1.0 OE1 A:GLN167 4.3 31.4 1.0 CB A:ASP102 4.4 26.1 1.0 NE2 A:GLN167 4.4 27.2 1.0 O A:ASP98 4.4 24.9 1.0 NZ A:LYS273 4.5 95.2 1.0 CA A:ASP98 4.8 20.9 1.0 CD A:GLN167 4.8 33.2 1.0 C A:ASP98 4.9 24.4 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn404 b:31.8 occ:0.42 O A:HOH696 1.9 41.8 0.8 O A:HOH505 1.9 53.0 1.0 OD2 A:ASP250 2.0 69.9 1.0 O A:HOH502 2.0 28.6 0.6 O A:HOH617 2.3 34.1 0.6 CG A:ASP250 3.1 65.2 1.0 OD1 A:ASP250 3.6 69.2 1.0 O A:HOH558 3.9 48.8 1.0 NZ A:LYS264 4.0 70.7 1.0 OD1 A:ASP254 4.0 48.2 1.0 NE2 A:GLN247 4.1 48.2 1.0 OD2 A:ASP268 4.1 55.9 1.0 CB A:ASP250 4.3 45.5 1.0 OD1 A:ASP268 4.4 47.1 1.0 O A:ASP250 4.4 46.9 1.0 OD1 A:ASP251 4.5 44.3 1.0 C A:ASP250 4.6 46.6 1.0 CB A:ASP254 4.6 43.7 1.0 CG A:ASP254 4.7 49.4 1.0 CG A:ASP268 4.7 50.7 1.0 N A:ASP251 4.9 41.8 1.0

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