Bromine in PDB 7zsn: Human Purine Nucleoside Phosphorylase in Complex with Js-379

All present enzymatic activity of Human Purine Nucleoside Phosphorylase in Complex with Js-379:
2.4.2.1;

The structure of Human Purine Nucleoside Phosphorylase in Complex with Js-379, PDB code: 7zsn 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)	49.01 / 2.36
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	141.72, 141.72, 162.44, 90, 90, 120
R / Rfree (%)	22 / 25.9

The structure of Human Purine Nucleoside Phosphorylase in Complex with Js-379 also contains other interesting chemical elements:

Tungsten	(W)	18 atoms
Tellurium	(Te)	3 atoms

The binding sites of Bromine atom in the Human Purine Nucleoside Phosphorylase in Complex with Js-379 (pdb code 7zsn). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Human Purine Nucleoside Phosphorylase in Complex with Js-379, PDB code: 7zsn:

Bromine binding site 1 out of 1 in the Human Purine Nucleoside Phosphorylase in Complex with Js-379


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human Purine Nucleoside Phosphorylase in Complex with Js-379 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:97.5 occ:0.95 BR1 A:JSI301 0.0 97.5 0.9 C10 A:JSI301 1.9 85.9 0.9 C9 A:JSI301 2.8 81.3 0.9 C11 A:JSI301 2.8 81.5 0.9 CD2 A:LEU261 4.0 87.9 1.0 O A:HIS257 4.1 96.2 1.0 C12 A:JSI301 4.1 76.4 0.9 CG1 A:VAL260 4.1 78.1 1.0 C8 A:JSI301 4.1 78.2 0.9 CG A:LEU261 4.3 88.4 1.0 CB A:VAL260 4.4 84.3 1.0 CA A:HIS257 4.5 95.1 1.0 CB A:HIS257 4.6 92.4 1.0 C7 A:JSI301 4.7 79.6 0.9 C A:HIS257 4.8 95.9 1.0 OG A:SER33 4.9 109.7 1.0 CB A:SER33 4.9 96.5 1.0 N A:LEU261 5.0 89.9 1.0

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