Chlorine in PDB 3e9z: Crystal Structure of Purine Nucleoside Phosphorylase From Schistosoma Mansoni in Complex with 6-Chloroguanine

All present enzymatic activity of Crystal Structure of Purine Nucleoside Phosphorylase From Schistosoma Mansoni in Complex with 6-Chloroguanine:
2.4.2.1;

The structure of Crystal Structure of Purine Nucleoside Phosphorylase From Schistosoma Mansoni in Complex with 6-Chloroguanine, PDB code: 3e9z was solved by H.M.Pereira, M.M.Rezende, G.Oliva, R.C.Garratt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.63 / 2.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.821, 118.121, 129.055, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 24.9

The binding sites of Chlorine atom in the Crystal Structure of Purine Nucleoside Phosphorylase From Schistosoma Mansoni in Complex with 6-Chloroguanine (pdb code 3e9z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Purine Nucleoside Phosphorylase From Schistosoma Mansoni in Complex with 6-Chloroguanine, PDB code: 3e9z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Purine Nucleoside Phosphorylase From Schistosoma Mansoni in Complex with 6-Chloroguanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Purine Nucleoside Phosphorylase From Schistosoma Mansoni in Complex with 6-Chloroguanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:0.3 occ:1.00 CL6 A:6GU704 0.0 0.3 1.0 C6 A:6GU704 1.8 25.0 1.0 O A:HOH739 2.4 12.7 1.0 OD1 A:ASN245 2.5 28.5 1.0 N1 A:6GU704 2.8 31.4 1.0 C5 A:6GU704 2.8 34.7 1.0 CA A:GLY120 3.0 18.1 1.0 CG A:ASN245 3.3 30.4 1.0 N7 A:6GU704 3.4 25.8 1.0 ND2 A:ASN245 3.4 22.5 1.0 OE1 A:GLU203 3.5 17.8 1.0 N A:GLY120 3.5 17.4 1.0 OG A:SER247 4.0 18.7 1.0 CD2 A:TYR202 4.2 23.1 1.0 C2 A:6GU704 4.2 31.0 1.0 C4 A:6GU704 4.2 32.9 1.0 C A:GLY120 4.2 19.7 1.0 CG1 A:VAL219 4.3 15.6 1.0 CE2 A:TYR202 4.5 23.6 1.0 C A:ALA119 4.6 20.5 1.0 O A:VAL219 4.6 18.5 1.0 CD A:GLU203 4.6 20.0 1.0 O A:HOH738 4.7 15.9 1.0 N3 A:6GU704 4.8 34.8 1.0 O A:HOH744 4.8 23.4 1.0 CB A:ASN245 4.8 18.6 1.0 O A:ASN245 4.8 18.2 1.0 C8 A:6GU704 4.8 30.9 1.0 O A:GLY120 4.9 22.2 1.0 CB A:SER247 4.9 18.1 1.0 CA A:SER247 4.9 17.8 1.0 N A:GLY121 4.9 20.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Purine Nucleoside Phosphorylase From Schistosoma Mansoni in Complex with 6-Chloroguanine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Purine Nucleoside Phosphorylase From Schistosoma Mansoni in Complex with 6-Chloroguanine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl704 b:46.9 occ:1.00 CL6 C:6GU704 0.0 46.9 1.0 C6 C:6GU704 1.8 26.4 1.0 O C:HOH806 2.7 15.8 1.0 N1 C:6GU704 2.7 23.2 1.0 OD1 C:ASN245 2.8 30.5 1.0 C5 C:6GU704 2.9 24.2 1.0 OE1 C:GLU203 3.3 22.1 1.0 CA C:GLY120 3.4 18.4 1.0 N7 C:6GU704 3.4 22.6 1.0 ND2 C:ASN245 3.5 29.9 1.0 CG C:ASN245 3.5 26.1 1.0 CD2 C:TYR202 3.7 28.3 1.0 N C:GLY120 3.7 18.6 1.0 CE2 C:TYR202 4.0 26.3 1.0 C2 C:6GU704 4.1 22.1 1.0 C4 C:6GU704 4.2 27.6 1.0 CG1 C:VAL219 4.4 16.0 1.0 CD C:GLU203 4.4 25.1 1.0 O C:HOH763 4.5 21.3 1.0 O C:VAL219 4.6 22.2 1.0 OG C:SER247 4.6 16.4 1.0 C C:ALA119 4.7 19.5 1.0 N3 C:6GU704 4.7 38.9 1.0 O C:HOH805 4.7 16.9 1.0 C C:GLY120 4.7 23.3 1.0 CG C:TYR202 4.7 24.5 1.0 OE2 C:GLU203 4.8 13.8 1.0 C8 C:6GU704 4.9 29.7 1.0 CB C:PRO257 4.9 26.1 1.0 CB C:ASN245 5.0 20.4 1.0

H.M.Pereira, M.M.Rezende, G.Oliva, R.C.Garratt. Crystal Structure of Schistosoma Mansoni Purine Nucleoside Phosphorylase (Smpnp) in Complex with Adenine, 8-Aminoguanine, 8-Azaguanine and 6-Chloroguanine. To Be Published.