Fluorine in PDB 3gb9: Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine

All present enzymatic activity of Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine:
2.4.2.1;

The structure of Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine, PDB code: 3gb9 was solved by M.R.Sawaya, S.Afshar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.791, 130.648, 149.177, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.7

The binding sites of Fluorine atom in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine (pdb code 3gb9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine, PDB code: 3gb9:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:54.2 occ:1.00 F A:A2F300 0.0 54.2 1.0 C2 A:A2F300 1.3 49.8 1.0 N1 A:A2F300 2.3 49.3 1.0 N3 A:A2F300 2.3 47.6 1.0 O A:HOH424 3.5 31.6 1.0 C4 A:A2F300 3.5 48.7 1.0 C6 A:A2F300 3.5 48.0 1.0 CG1 A:VAL245 3.7 27.3 1.0 CB A:PHE200 3.7 22.4 1.0 CG A:PHE200 3.7 22.7 1.0 CG2 A:VAL245 3.8 22.6 1.0 CD2 A:PHE200 3.8 23.9 1.0 N A:GLN201 3.9 19.6 1.0 C5 A:A2F300 4.0 46.6 1.0 OD2 A:ASP243 4.1 36.9 1.0 CB A:VAL245 4.2 27.2 1.0 CG A:GLN201 4.4 26.1 1.0 CA A:VAL245 4.5 29.0 1.0 CA A:PHE200 4.5 22.0 1.0 CD1 A:PHE200 4.5 21.5 1.0 CE2 A:PHE200 4.5 22.9 1.0 CB A:GLN201 4.6 23.0 1.0 C A:PHE200 4.7 21.8 1.0 N6 A:A2F300 4.7 45.5 1.0 CA A:GLN201 4.8 20.6 1.0 N9 A:A2F300 4.8 48.3 1.0 O A:GLN201 4.9 20.9 1.0 O A:HOH367 4.9 15.7 1.0

Fluorine binding site 2 out of 3 in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine within 5.0Å range: probe atom residue distance (Å) B Occ B:F300 b:50.7 occ:1.00 F B:A2F300 0.0 50.7 1.0 C2 B:A2F300 1.3 50.3 1.0 N3 B:A2F300 2.3 48.4 1.0 N1 B:A2F300 2.4 46.6 1.0 N B:GLN201 3.4 21.7 1.0 CG1 B:VAL245 3.4 26.2 1.0 C4 B:A2F300 3.6 48.2 1.0 C6 B:A2F300 3.6 45.0 1.0 CB B:PHE200 3.7 22.0 1.0 CG B:GLN201 3.8 27.6 1.0 CG B:PHE200 3.8 22.7 1.0 CD2 B:PHE200 3.9 26.7 1.0 CB B:GLN201 3.9 25.6 1.0 C5 B:A2F300 4.1 46.7 1.0 CG2 B:VAL245 4.1 27.8 1.0 CA B:PHE200 4.2 22.2 1.0 CA B:GLN201 4.2 20.2 1.0 C B:PHE200 4.2 22.9 1.0 CB B:VAL245 4.3 28.0 1.0 O B:GLN201 4.4 19.5 1.0 OD2 B:ASP243 4.4 39.2 1.0 CD1 B:PHE200 4.5 23.9 1.0 O B:HOH303 4.6 18.3 1.0 NE2 B:GLN201 4.7 31.6 1.0 CE2 B:PHE200 4.7 26.4 1.0 CA B:VAL245 4.7 30.4 1.0 C B:GLN201 4.8 17.0 1.0 CD B:GLN201 4.8 30.6 1.0 N6 B:A2F300 4.8 41.5 1.0 N9 B:A2F300 4.8 47.5 1.0 O B:HOH352 5.0 29.9 1.0

Fluorine binding site 3 out of 3 in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoroadenine within 5.0Å range: probe atom residue distance (Å) B Occ C:F300 b:54.1 occ:1.00 F C:A2F300 0.0 54.1 1.0 C2 C:A2F300 1.3 52.1 1.0 N1 C:A2F300 2.3 48.2 1.0 N3 C:A2F300 2.3 51.5 1.0 C6 C:A2F300 3.5 45.6 1.0 C4 C:A2F300 3.6 49.4 1.0 CD2 C:PHE200 3.7 30.2 1.0 CG1 C:VAL245 3.7 22.3 1.0 CB C:PHE200 3.8 22.6 1.0 CG C:PHE200 3.8 25.2 1.0 CG2 C:VAL245 3.9 20.9 1.0 N C:GLN201 3.9 20.2 1.0 OD2 C:ASP243 3.9 36.0 1.0 C5 C:A2F300 4.0 46.9 1.0 CB C:VAL245 4.2 23.8 1.0 CA C:VAL245 4.4 25.1 1.0 CB C:GLN201 4.4 23.0 1.0 CG C:GLN201 4.4 24.7 1.0 CE2 C:PHE200 4.5 30.3 1.0 CA C:PHE200 4.5 19.4 1.0 CD1 C:PHE200 4.6 24.5 1.0 N6 C:A2F300 4.6 41.1 1.0 C C:PHE200 4.7 21.7 1.0 O B:HOH429 4.7 23.7 1.0 CA C:GLN201 4.7 20.9 1.0 N9 C:A2F300 4.8 50.2 1.0 O C:GLN201 4.8 20.1 1.0 CG C:ASP243 4.9 32.6 1.0

S.Afshar, M.R.Sawaya, S.L.Morrison. Structure of A Mutant Human Purine Nucleoside Phosphorylase with the Prodrug, 2-Fluoro-2'-Deoxyadenosine and the Cytotoxic Drug, 2-Fluoroadenine. Protein Sci. V. 18 1107 2009.
ISSN: ISSN 0961-8368
PubMed: 19388075
DOI: 10.1002/PRO.91