Tellurium in PDB 7zsp: Human Purine Nucleoside Phosphorylase in Complex with Js-555

All present enzymatic activity of Human Purine Nucleoside Phosphorylase in Complex with Js-555:
2.4.2.1;

The structure of Human Purine Nucleoside Phosphorylase in Complex with Js-555, PDB code: 7zsp was solved by S.Djukic, P.Pachl, P.Rezacova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.28 / 2.29
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.36, 142.36, 163.61, 90, 90, 120
R / Rfree (%)	21.4 / 25.6

The structure of Human Purine Nucleoside Phosphorylase in Complex with Js-555 also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Tungsten	(W)	18 atoms
Fluorine	(F)	5 atoms

The binding sites of Tellurium atom in the Human Purine Nucleoside Phosphorylase in Complex with Js-555 (pdb code 7zsp). This binding sites where shown within 5.0 Angstroms radius around Tellurium atom.
In total 3 binding sites of Tellurium where determined in the Human Purine Nucleoside Phosphorylase in Complex with Js-555, PDB code: 7zsp:
Jump to Tellurium binding site number: 1; 2; 3;

Tellurium binding site 1 out of 3 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


Mono view


Stereo pair view

A full contact list of Tellurium with other atoms in the Te binding site number 1 of Human Purine Nucleoside Phosphorylase in Complex with Js-555 within 5.0Å range: probe atom residue distance (Å) B Occ A:Te302 b:159.3 occ:0.33 TE1 A:TEW302 0.0 159.3 0.3 O2 A:TEW302 1.9 139.8 0.3 O11 A:TEW302 1.9 158.7 0.3 O13 A:TEW302 1.9 146.6 0.3 O1 A:TEW302 1.9 146.7 0.3 O7 A:TEW302 1.9 155.9 0.3 O12 A:TEW302 1.9 162.7 0.3 W2 A:TEW302 3.2 136.3 0.3 W1 A:TEW302 3.2 152.2 0.3 W6 A:TEW302 3.3 161.0 0.3 W3 A:TEW302 3.3 113.7 0.3 W5 A:TEW302 3.3 182.5 0.3 W4 A:TEW302 3.3 171.9 0.3 O10 A:TEW302 3.3 153.9 0.3 O3 A:TEW302 3.4 145.4 0.3 O20 A:TEW302 3.4 162.3 0.3 O4 A:TEW302 3.4 139.2 0.3 O14 A:TEW302 3.4 148.3 0.3 O17 A:TEW302 3.4 166.3 0.3 CE A:LYS95 4.3 77.7 1.0 NZ A:LYS95 4.3 87.2 1.0 O8 A:TEW302 4.4 142.2 0.3 O5 A:TEW302 4.4 139.4 0.3 O22 A:TEW302 4.5 169.9 0.3 O23 A:TEW302 4.5 155.6 0.3 O15 A:TEW302 4.5 132.4 0.3 O31 A:TEW302 4.5 160.6 0.3 O6 A:TEW302 4.5 147.5 0.3 O16 A:TEW302 4.5 133.8 0.3 O9 A:TEW302 4.6 146.9 0.3 O19 A:TEW302 4.6 161.1 0.3 O21 A:TEW302 4.6 169.3 0.3 O18 A:TEW302 4.6 165.8 0.3

Tellurium binding site 2 out of 3 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


Mono view


Stereo pair view

A full contact list of Tellurium with other atoms in the Te binding site number 2 of Human Purine Nucleoside Phosphorylase in Complex with Js-555 within 5.0Å range: probe atom residue distance (Å) B Occ A:Te303 b:141.5 occ:0.30 TE1 A:TEW303 0.0 141.5 0.3 O2 A:TEW303 1.9 137.6 0.3 O12 A:TEW303 1.9 146.3 0.3 O11 A:TEW303 1.9 147.7 0.3 O7 A:TEW303 1.9 145.1 0.3 O13 A:TEW303 1.9 144.6 0.3 O1 A:TEW303 1.9 138.2 0.3 W2 A:TEW303 3.3 147.5 0.3 W1 A:TEW303 3.3 116.0 0.3 W6 A:TEW303 3.3 150.1 0.3 W4 A:TEW303 3.3 152.2 0.3 W5 A:TEW303 3.3 155.0 0.3 W3 A:TEW303 3.3 146.0 0.3 O10 A:TEW303 3.4 147.3 0.3 O3 A:TEW303 3.4 135.8 0.3 O20 A:TEW303 3.4 150.4 0.3 O4 A:TEW303 3.4 134.8 0.3 O17 A:TEW303 3.5 149.1 0.3 O14 A:TEW303 3.5 147.1 0.3 O8 A:TEW303 4.5 138.6 0.3 O5 A:TEW303 4.5 126.5 0.3 O22 A:TEW303 4.5 148.0 0.3 O19 A:TEW303 4.6 143.9 0.3 O31 A:TEW303 4.6 148.1 0.3 O9 A:TEW303 4.6 139.0 0.3 O23 A:TEW303 4.6 142.3 0.3 O6 A:TEW303 4.6 125.2 0.3 O15 A:TEW303 4.6 140.1 0.3 O18 A:TEW303 4.6 142.7 0.3 O16 A:TEW303 4.6 140.1 0.3 O21 A:TEW303 4.6 148.6 0.3

Tellurium binding site 3 out of 3 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


Mono view


Stereo pair view

A full contact list of Tellurium with other atoms in the Te binding site number 3 of Human Purine Nucleoside Phosphorylase in Complex with Js-555 within 5.0Å range: probe atom residue distance (Å) B Occ A:Te304 b:78.1 occ:0.34 TE1 A:TEW304 0.0 78.1 0.3 O13 A:TEW304 1.9 84.0 0.3 O2 A:TEW304 1.9 75.5 0.3 O1 A:TEW304 1.9 71.8 0.3 O11 A:TEW304 1.9 84.4 0.3 O7 A:TEW304 1.9 70.5 0.3 O12 A:TEW304 1.9 85.8 0.3 W6 A:TEW304 3.1 101.8 0.3 W2 A:TEW304 3.2 60.7 0.3 W1 A:TEW304 3.2 61.0 0.3 O20 A:TEW304 3.2 91.7 0.3 W4 A:TEW304 3.3 86.6 0.3 W3 A:TEW304 3.3 95.7 0.3 O14 A:TEW304 3.3 90.3 0.3 W5 A:TEW304 3.3 84.6 0.3 O3 A:TEW304 3.3 70.1 0.3 O10 A:TEW304 3.4 76.8 0.3 O4 A:TEW304 3.4 72.9 0.3 O17 A:TEW304 3.6 85.4 0.3 O23 A:TEW304 4.4 95.1 0.3 O8 A:TEW304 4.4 65.7 0.3 O31 A:TEW304 4.4 93.8 0.3 O19 A:TEW304 4.5 92.4 0.3 O21 A:TEW304 4.5 82.6 0.3 O5 A:TEW304 4.5 64.3 0.3 O9 A:TEW304 4.5 70.7 0.3 O6 A:TEW304 4.5 66.5 0.3 O15 A:TEW304 4.5 80.8 0.3 O16 A:TEW304 4.6 78.3 0.3 O22 A:TEW304 4.6 82.5 0.3 O18 A:TEW304 4.6 87.1 0.3

J.Skacel, S.Djukic. Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Pnp Inhibitors To Be Published.