Zinc 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:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc 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 Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn402 b:27.2 occ:0.29 O A:HOH532 2.0 45.9 0.9 OD2 A:ASP102 2.1 44.5 1.0 OD1 A:ASP98 2.1 25.0 0.3 OD2 A:ASP98 2.5 27.8 0.3 CG A:ASP98 2.6 24.8 0.3 CG A:ASP102 2.9 36.2 1.0 OD1 A:ASP102 3.2 37.2 1.0 OE1 A:GLN167 3.8 51.0 1.0 CB A:ASP98 4.1 23.8 0.7 CB A:ASP98 4.1 21.4 0.3 OD2 A:ASP170 4.2 41.5 1.0 O A:HOH573 4.3 39.3 1.0 CB A:ASP102 4.4 27.3 1.0 CG A:ASP98 4.5 26.3 0.7 O A:ASP98 4.5 24.2 0.7 O A:ASP98 4.5 23.7 0.3 NZ A:LYS273 4.6 43.9 1.0 OD2 A:ASP98 4.6 30.8 0.7 CD A:GLN167 4.7 55.5 1.0 O A:HOH711 4.8 62.4 1.0 NE2 A:GLN167 4.8 50.7 1.0 CA A:ASP98 4.8 20.3 0.3 CA A:ASP98 4.8 22.2 0.7 CG1 A:VAL171 4.9 34.2 1.0 C A:ASP98 4.9 25.1 0.7 C A:ASP98 5.0 24.4 0.3

Zinc 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 Zinc with other atoms in the Zn 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:Zn403 b:33.0 occ:0.19 O A:HOH546 1.9 52.7 0.9 O A:HOH510 2.0 31.4 0.7 O A:HOH519 2.1 40.5 0.5 OD2 A:ASP250 2.2 49.8 0.3 O A:HOH555 2.4 56.1 1.0 CG A:ASP250 3.3 44.7 0.3 OD1 A:ASP250 3.8 45.4 0.3 OD1 A:ASP254 3.9 39.9 1.0 O A:HOH606 4.0 47.3 1.0 OD2 A:ASP268 4.0 37.2 1.0 O A:ASP250 4.2 35.9 0.3 NE2 A:GLN247 4.2 34.6 1.0 O A:ASP250 4.3 35.0 0.7 OD1 A:ASP268 4.3 36.5 1.0 CB A:ASP254 4.3 39.0 1.0 OD1 A:ASP251 4.4 33.3 1.0 CG A:ASP254 4.5 40.0 1.0 CB A:ASP250 4.5 34.6 0.7 C A:ASP250 4.5 36.2 0.3 CB A:ASP250 4.5 35.2 0.3 C A:ASP250 4.5 35.7 0.7 CG A:ASP268 4.6 37.6 1.0 NZ A:LYS264 4.7 96.5 1.0 O A:HOH771 4.8 61.5 1.0 N A:ASP251 4.9 32.1 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.