Zinc in PDB 6r05: T. Cruzi Fpps in Complex with N-Benzyl-6-Methylpyridin-2-Amine

The structure of T. Cruzi Fpps in Complex with N-Benzyl-6-Methylpyridin-2-Amine, PDB code: 6r05 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)	22.62 / 1.57
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.106, 58.106, 396.688, 90.00, 90.00, 120.00
R / Rfree (%)	18.3 / 20.9

The binding sites of Zinc atom in the T. Cruzi Fpps in Complex with N-Benzyl-6-Methylpyridin-2-Amine (pdb code 6r05). 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 N-Benzyl-6-Methylpyridin-2-Amine, PDB code: 6r05:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the T. Cruzi Fpps in Complex with N-Benzyl-6-Methylpyridin-2-Amine


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 N-Benzyl-6-Methylpyridin-2-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn506 b:25.3 occ:0.86 O A:HOH610 1.8 36.2 1.0 O A:HOH649 1.9 46.7 1.0 OD2 A:ASP102 2.0 27.9 1.0 OD1 A:ASP98 2.1 20.9 1.0 O A:HOH612 2.2 35.1 1.0 CG A:ASP98 2.7 25.5 1.0 OD2 A:ASP98 2.7 26.3 1.0 CG A:ASP102 3.0 25.4 1.0 OD1 A:ASP102 3.3 28.1 1.0 OD2 A:ASP170 4.0 31.0 1.0 CB A:ASP98 4.2 19.3 1.0 OE1 A:GLN167 4.3 29.1 1.0 O A:HOH605 4.3 32.2 1.0 O A:HOH797 4.3 58.4 1.0 CB A:ASP102 4.4 23.4 1.0 NZ A:LYS273 4.4 73.0 1.0 NE2 A:GLN167 4.4 26.2 1.0 O A:ASP98 4.4 22.5 1.0 O A:HOH786 4.6 64.8 1.0 O A:HOH805 4.7 54.9 1.0 CA A:ASP98 4.8 18.8 1.0 CD A:GLN167 4.8 34.3 1.0 C A:ASP98 4.9 22.7 1.0 O A:HOH844 5.0 57.7 1.0

Zinc binding site 2 out of 2 in the T. Cruzi Fpps in Complex with N-Benzyl-6-Methylpyridin-2-Amine


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 N-Benzyl-6-Methylpyridin-2-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn507 b:28.6 occ:0.61 O A:HOH626 1.9 45.6 1.0 O A:HOH634 1.9 40.1 1.0 OD2 A:ASP250 2.0 48.2 1.0 O A:HOH607 2.1 25.4 0.6 O A:HOH768 2.1 40.0 1.0 O A:HOH777 2.1 28.8 0.6 CG A:ASP250 3.1 46.6 1.0 OD1 A:ASP250 3.5 46.4 1.0 OD1 A:ASP254 3.9 44.0 1.0 NZ A:LYS264 4.0 43.1 1.0 OD2 A:ASP268 4.2 42.1 1.0 NE2 A:GLN247 4.2 34.2 1.0 O A:HOH844 4.2 57.7 1.0 CB A:ASP250 4.4 36.5 1.0 OD1 A:ASP268 4.4 40.5 1.0 O A:ASP250 4.4 38.9 1.0 OD1 A:ASP251 4.4 32.4 1.0 C A:ASP250 4.5 38.9 1.0 CG A:ASP254 4.6 44.5 1.0 O A:HOH786 4.7 64.8 1.0 CB A:ASP254 4.7 38.9 1.0 CG A:ASP268 4.7 40.9 1.0 CE A:LYS264 4.9 43.5 1.0 O A:HOH631 4.9 44.3 1.0 N A:ASP251 4.9 33.9 1.0

J.K.Petrick, W.Jahnke. Crystal Structure of T. Cruzi Fpps in Complex with N-Benzyl-6-Methylpyridin-2-Amine To Be Published.