Chlorine in PDB 4dae: Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 6-Chloroguanosine

All present enzymatic activity of Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 6-Chloroguanosine:
2.4.2.1;

The structure of Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 6-Chloroguanosine, PDB code: 4dae was solved by N.H.Martins, P.O.Giuseppe, A.N.Meza, M.T.Murakami, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.30 / 2.35
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	135.352, 135.352, 56.801, 90.00, 90.00, 120.00
R / Rfree (%)	19.5 / 24.8

The binding sites of Chlorine atom in the Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 6-Chloroguanosine (pdb code 4dae). 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 the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 6-Chloroguanosine, PDB code: 4dae:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 6-Chloroguanosine


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 the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 6-Chloroguanosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:49.8 occ:1.00 CL1 A:6CR301 0.0 49.8 1.0 C6 A:6CR301 1.8 39.4 1.0 N1 A:6CR301 2.7 38.3 1.0 C5 A:6CR301 2.8 37.6 1.0 CA A:GLY92 3.2 31.2 1.0 OD1 A:ASP203 3.4 46.3 1.0 N7 A:6CR301 3.4 36.6 1.0 N A:GLY92 3.5 32.0 1.0 OG A:SER202 3.5 34.8 1.0 CG2 A:VAL205 3.6 47.8 1.0 C2 A:6CR301 4.0 36.4 1.0 CG A:ASP203 4.1 43.7 1.0 C4 A:6CR301 4.2 35.2 1.0 O A:HOH464 4.2 53.9 1.0 OD2 A:ASP203 4.4 47.5 1.0 C A:CYS91 4.4 33.1 1.0 CG1 A:VAL177 4.5 27.4 1.0 C A:GLY92 4.5 31.7 1.0 N3 A:6CR301 4.6 35.9 1.0 O A:VAL177 4.6 24.9 1.0 C8 A:6CR301 4.7 35.1 1.0 CE1 A:PHE159 4.7 30.9 1.0 CB A:SER202 4.9 34.7 1.0 O A:CYS91 4.9 33.6 1.0 O A:GLY92 5.0 31.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 6-Chloroguanosine


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 the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 6-Chloroguanosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:58.6 occ:1.00 N A:SER90 3.3 32.9 1.0 CA A:GLY89 3.5 31.3 1.0 NH1 A:ARG87 3.5 29.1 1.0 O A:HOH404 3.6 33.0 1.0 C1' A:6CR301 3.7 29.9 1.0 NH2 A:ARG87 3.7 27.4 1.0 O4' A:6CR301 3.9 29.6 1.0 C A:GLY89 3.9 32.1 1.0 O3' A:6CR301 4.1 31.4 1.0 CZ A:ARG87 4.1 30.1 1.0 OG A:SER90 4.2 35.8 1.0 O A:SER90 4.2 34.0 1.0 O2' A:6CR301 4.3 27.8 1.0 N A:GLY20 4.4 31.4 1.0 CA A:SER90 4.4 33.4 1.0 C2' A:6CR301 4.5 28.5 1.0 C4' A:6CR301 4.7 30.8 1.0 CA A:GLY20 4.7 31.3 1.0 C3' A:6CR301 4.7 28.5 1.0 C A:SER90 4.8 33.7 1.0 N A:GLY89 4.8 30.3 1.0 N9 A:6CR301 4.8 33.0 1.0 OE1 A:GLU180 4.8 27.7 1.0 CB A:SER90 4.9 33.7 1.0 C8 A:6CR301 4.9 35.1 1.0 O A:VAL88 4.9 30.5 1.0

P.O.De Giuseppe, N.H.Martins, A.N.Meza, C.R.Dos Santos, H.D.Pereira, M.T.Murakami. Insights Into Phosphate Cooperativity and Influence of Substrate Modifications on Binding and Catalysis of Hexameric Purine Nucleoside Phosphorylases. Plos One V. 7 44282 2012.
ISSN: ESSN 1932-6203
PubMed: 22957058
DOI: 10.1371/JOURNAL.PONE.0044282