Chlorine in PDB 7zsm: Human Purine Nucleoside Phosphorylase in Complex with Js-375

All present enzymatic activity of Human Purine Nucleoside Phosphorylase in Complex with Js-375:
2.4.2.1;

The structure of Human Purine Nucleoside Phosphorylase in Complex with Js-375, PDB code: 7zsm 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)	49.39 / 2.65
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	142.53, 142.53, 164.3, 90, 90, 120
R / Rfree (%)	21.8 / 24.3

The binding sites of Chlorine atom in the Human Purine Nucleoside Phosphorylase in Complex with Js-375 (pdb code 7zsm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Human Purine Nucleoside Phosphorylase in Complex with Js-375, PDB code: 7zsm:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Human Purine Nucleoside Phosphorylase in Complex with Js-375


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Purine Nucleoside Phosphorylase in Complex with Js-375 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:110.6 occ:1.00 NH1 A:ARG148 3.5 109.6 1.0 NH2 A:ARG148 3.8 101.7 1.0 CZ A:ARG148 4.1 103.5 1.0

Chlorine binding site 2 out of 3 in the Human Purine Nucleoside Phosphorylase in Complex with Js-375


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Purine Nucleoside Phosphorylase in Complex with Js-375 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:117.1 occ:0.50 O A:HOH423 3.5 80.3 1.0 NE A:ARG58 3.6 129.3 1.0 CD A:ARG58 4.2 130.8 1.0 CG A:ARG58 4.5 126.7 1.0 CZ A:ARG58 4.6 124.0 1.0 NH2 A:ARG58 4.6 123.5 1.0

Chlorine binding site 3 out of 3 in the Human Purine Nucleoside Phosphorylase in Complex with Js-375


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Purine Nucleoside Phosphorylase in Complex with Js-375 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:105.2 occ:1.00 NE2 A:GLN144 3.9 91.7 1.0 CB A:PRO92 4.0 64.5 1.0 OE1 A:GLN144 4.2 84.7 1.0 CA A:PRO92 4.3 68.7 1.0 CD A:GLN144 4.4 79.3 1.0

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