Zinc in PDB 6r06: T. Cruzi Fpps in Complex with (3S,4S)-4-(3,4-Dimethylphenoxy)-1-(Prop- 2-Yn-1-Yl)Piperidin-3-Ol

The structure of T. Cruzi Fpps in Complex with (3S,4S)-4-(3,4-Dimethylphenoxy)-1-(Prop- 2-Yn-1-Yl)Piperidin-3-Ol, PDB code: 6r06 was solved by J.K.Petrick, L.Muenzker, C.Schleberger, J.Wolfgang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.29 / 1.56
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.065, 58.065, 397.506, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 22.4

The binding sites of Zinc atom in the T. Cruzi Fpps in Complex with (3S,4S)-4-(3,4-Dimethylphenoxy)-1-(Prop- 2-Yn-1-Yl)Piperidin-3-Ol (pdb code 6r06). 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 (3S,4S)-4-(3,4-Dimethylphenoxy)-1-(Prop- 2-Yn-1-Yl)Piperidin-3-Ol, PDB code: 6r06:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the T. Cruzi Fpps in Complex with (3S,4S)-4-(3,4-Dimethylphenoxy)-1-(Prop- 2-Yn-1-Yl)Piperidin-3-Ol


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 (3S,4S)-4-(3,4-Dimethylphenoxy)-1-(Prop- 2-Yn-1-Yl)Piperidin-3-Ol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:25.5 occ:0.78 O A:HOH502 1.9 34.9 0.8 O A:HOH546 1.9 40.2 0.8 OD1 A:ASP98 2.1 24.7 1.0 O A:HOH507 2.1 30.4 0.8 OD2 A:ASP102 2.1 27.9 1.0 CG A:ASP98 2.8 24.5 1.0 OD2 A:ASP98 2.8 28.8 1.0 CG A:ASP102 3.0 25.1 1.0 OD1 A:ASP102 3.1 28.1 1.0 NE2 A:GLN167 3.9 50.2 1.0 O A:HOH680 4.1 60.2 1.0 OD2 A:ASP170 4.2 33.4 1.0 CB A:ASP98 4.2 18.9 1.0 O A:HOH505 4.3 34.9 1.0 OE1 A:GLN167 4.3 32.4 1.0 O2 A:SO4406 4.3 34.5 0.4 CB A:ASP102 4.4 23.5 1.0 O A:ASP98 4.5 21.3 1.0 CD A:GLN167 4.5 49.1 1.0 C4 A:JMN401 4.6 43.1 0.6 C8 A:JMN401 4.7 45.4 0.6 NZ A:LYS273 4.8 44.4 1.0 CA A:ASP98 4.8 17.6 1.0 C A:ASP98 4.9 21.7 1.0

Zinc binding site 2 out of 2 in the T. Cruzi Fpps in Complex with (3S,4S)-4-(3,4-Dimethylphenoxy)-1-(Prop- 2-Yn-1-Yl)Piperidin-3-Ol


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 (3S,4S)-4-(3,4-Dimethylphenoxy)-1-(Prop- 2-Yn-1-Yl)Piperidin-3-Ol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:28.1 occ:0.40 O A:HOH544 1.9 32.2 0.4 OD2 A:ASP250 2.0 64.5 1.0 O A:HOH511 2.1 20.8 0.4 O4 A:SO4406 2.1 34.0 0.4 CG A:ASP250 3.1 58.2 1.0 S A:SO4406 3.2 36.1 0.4 O1 A:SO4406 3.4 37.9 0.4 OD1 A:ASP250 3.6 61.5 1.0 O2 A:SO4406 3.7 34.5 0.4 O A:HOH512 3.8 45.3 1.0 OD1 A:ASP254 4.0 43.4 1.0 NE2 A:GLN247 4.1 31.4 1.0 OD2 A:ASP268 4.2 44.6 1.0 CB A:ASP250 4.3 40.0 1.0 O3 A:SO4406 4.4 35.3 0.4 OD1 A:ASP268 4.4 36.4 1.0 O A:ASP250 4.5 42.1 1.0 OD1 A:ASP251 4.5 37.3 1.0 C A:ASP250 4.6 42.6 1.0 CB A:ASP254 4.6 43.5 1.0 CG A:ASP254 4.7 45.5 1.0 O A:HOH677 4.7 54.8 1.0 CG A:ASP268 4.7 40.7 1.0 N A:ASP251 4.9 38.7 1.0

J.K.Petrick, W.Jahnke. Not Determined Yet To Be Published.