Fluorine in PDB 4dan: Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 2-Fluoroadenosine

All present enzymatic activity of Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 2-Fluoroadenosine:
2.4.2.1;

The structure of Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 2-Fluoroadenosine, PDB code: 4dan was solved by P.O.Giuseppe, N.H.Martins, 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)	20.00 / 2.56
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.804, 135.804, 55.154, 90.00, 90.00, 120.00
R / Rfree (%)	15.7 / 21.1

The binding sites of Fluorine atom in the Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 2-Fluoroadenosine (pdb code 4dan). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 2-Fluoroadenosine, PDB code: 4dan:
Jump to Fluorine binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 2-Fluoroadenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:27.1 occ:1.00 F A:2FA301 0.0 27.1 1.0 C2 A:2FA301 1.3 27.0 1.0 N1 A:2FA301 2.3 27.5 1.0 N3 A:2FA301 2.3 26.2 1.0 CD1 A:PHE159 3.5 22.4 1.0 C6 A:2FA301 3.5 26.7 1.0 CG2 A:VAL177 3.5 13.1 1.0 C4 A:2FA301 3.6 26.2 1.0 CG A:MET179 3.8 20.3 1.0 CE1 A:PHE159 4.0 23.1 1.0 C5 A:2FA301 4.1 27.2 1.0 CA A:GLU178 4.2 16.5 1.0 O A:VAL177 4.2 16.1 1.0 SD A:MET179 4.2 22.9 1.0 C A:VAL177 4.3 15.5 1.0 CA A:PHE159 4.3 24.1 1.0 N A:GLU178 4.3 15.9 1.0 C A:GLU178 4.4 17.2 1.0 CG A:PHE159 4.4 23.6 1.0 CB A:ALA156 4.4 17.6 1.0 O A:GLU178 4.4 17.2 1.0 CG1 A:VAL177 4.4 14.3 1.0 CB A:VAL177 4.5 15.0 1.0 N6 A:2FA301 4.6 26.9 1.0 CB A:PHE159 4.7 23.8 1.0 N9 A:2FA301 4.8 25.1 1.0 O A:PHE159 4.9 24.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 2-Fluoroadenosine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Hexameric Purine Nucleoside Phosphorylase From Bacillus Subtilis in Complex with 2-Fluoroadenosine within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:31.7 occ:1.00 F B:2FA301 0.0 31.7 1.0 C2 B:2FA301 1.3 29.4 1.0 N1 B:2FA301 2.3 30.5 1.0 N3 B:2FA301 2.4 27.3 1.0 CD1 B:PHE159 3.3 18.2 1.0 CG2 B:VAL177 3.5 16.1 1.0 C6 B:2FA301 3.5 30.2 1.0 CG B:MET179 3.6 16.6 1.0 C4 B:2FA301 3.6 26.9 1.0 CE1 B:PHE159 3.8 17.4 1.0 SD B:MET179 4.0 17.1 1.0 C5 B:2FA301 4.1 28.3 1.0 CB B:ALA156 4.2 17.3 1.0 O B:GLU178 4.3 17.7 1.0 CG B:PHE159 4.3 20.6 1.0 CA B:PHE159 4.3 21.8 1.0 CA B:GLU178 4.4 17.4 1.0 C B:GLU178 4.4 17.1 1.0 O B:VAL177 4.4 17.6 1.0 C B:VAL177 4.5 16.7 1.0 N6 B:2FA301 4.6 32.0 1.0 N B:GLU178 4.6 16.9 1.0 CG1 B:VAL177 4.7 16.1 1.0 CB B:VAL177 4.7 15.9 1.0 CB B:PHE159 4.7 21.6 1.0 N9 B:2FA301 4.8 26.9 1.0 O B:PHE159 5.0 23.4 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