Atomistry » Fluorine » PDB 3g72-3gwv » 3ggs
Atomistry »
  Fluorine »
    PDB 3g72-3gwv »
      3ggs »

Fluorine in PDB 3ggs: Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoro-2'-Deoxyadenosine

Enzymatic activity of Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoro-2'-Deoxyadenosine

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

Protein crystallography data

The structure of Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoro-2'-Deoxyadenosine, PDB code: 3ggs 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 / 2.52
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.240, 130.646, 149.433, 90.00, 90.00, 90.00
R / Rfree (%) 21.2 / 25.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoro-2'-Deoxyadenosine (pdb code 3ggs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoro-2'-Deoxyadenosine, PDB code: 3ggs:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 3ggs

Go back to Fluorine Binding Sites List in 3ggs
Fluorine binding site 1 out of 4 in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoro-2'-Deoxyadenosine


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-Fluoro-2'-Deoxyadenosine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F300

b:60.7
occ:1.00
 F A:2FD300 0.0 60.7 1.0
C2 A:2FD300 1.3 60.0 1.0
N3 A:2FD300 2.3 61.9 1.0
N1 A:2FD300 2.3 58.4 1.0
CE A:MET219 2.9 41.1 1.0
CG A:MET219 3.0 42.4 1.0
C4 A:2FD300 3.6 63.1 1.0
C6 A:2FD300 3.6 60.0 1.0
CA A:GLY218 3.6 37.0 1.0
CG2 A:VAL195 3.6 37.0 1.0
C A:GLY218 3.7 38.2 1.0
SD A:MET219 3.8 43.4 1.0
CG2 A:VAL217 4.0 38.2 1.0
N A:MET219 4.0 40.6 1.0
C5 A:2FD300 4.1 61.8 1.0
NE2 A:GLN201 4.1 56.7 1.0
N A:GLY218 4.1 35.8 1.0
O A:GLY218 4.2 39.3 1.0
CB A:MET219 4.3 41.7 1.0
CE1 A:PHE200 4.5 47.2 1.0
C A:VAL217 4.6 39.3 1.0
CA A:MET219 4.6 41.4 1.0
N6 A:2FD300 4.7 59.6 1.0
O A:VAL217 4.7 38.7 1.0
CD1 A:PHE200 4.8 47.8 1.0
N9 A:2FD300 4.8 65.1 1.0
O A:HOH324 4.9 59.7 1.0
CG1 A:VAL217 5.0 35.5 1.0

Fluorine binding site 2 out of 4 in 3ggs

Go back to Fluorine Binding Sites List in 3ggs
Fluorine binding site 2 out of 4 in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoro-2'-Deoxyadenosine


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-Fluoro-2'-Deoxyadenosine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F300

b:64.1
occ:1.00
 F B:2FD300 0.0 64.1 1.0
C2 B:2FD300 1.3 63.5 1.0
N3 B:2FD300 2.3 63.9 1.0
N1 B:2FD300 2.3 64.0 1.0
CE B:MET219 3.0 40.5 1.0
CG B:MET219 3.4 42.1 1.0
NE2 B:GLN201 3.5 55.4 1.0
C4 B:2FD300 3.6 65.4 1.0
CG2 B:VAL195 3.6 37.8 1.0
C6 B:2FD300 3.6 63.6 1.0
CG2 B:VAL217 3.7 37.6 1.0
CA B:GLY218 3.9 37.8 1.0
SD B:MET219 3.9 42.5 1.0
C B:GLY218 3.9 38.8 1.0
C5 B:2FD300 4.0 64.6 1.0
O B:GLY218 4.1 40.8 1.0
OE1 B:GLN201 4.2 57.0 1.0
CD B:GLN201 4.2 54.6 1.0
N B:GLY218 4.2 37.9 1.0
CE1 B:PHE200 4.4 47.7 1.0
N B:MET219 4.5 40.7 1.0
C B:VAL217 4.5 38.6 1.0
O B:VAL217 4.5 37.8 1.0
CD1 B:PHE200 4.6 47.8 1.0
O5' B:2FD300 4.7 65.4 1.0
N6 B:2FD300 4.7 62.7 1.0
CG1 B:VAL217 4.7 37.0 1.0
CB B:MET219 4.7 41.6 1.0
CB B:VAL217 4.8 39.1 1.0
N9 B:2FD300 4.8 66.6 1.0

Fluorine binding site 3 out of 4 in 3ggs

Go back to Fluorine Binding Sites List in 3ggs
Fluorine binding site 3 out of 4 in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoro-2'-Deoxyadenosine


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-Fluoro-2'-Deoxyadenosine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F300

b:73.0
occ:1.00
 F C:2FD300 0.0 73.0 1.0
C2 C:2FD300 1.3 72.7 1.0
N3 C:2FD300 2.3 74.0 1.0
N1 C:2FD300 2.4 73.0 1.0
NE2 C:GLN201 2.9 56.0 1.0
CE C:MET219 3.2 41.2 1.0
C4 C:2FD300 3.5 75.6 1.0
C6 C:2FD300 3.6 73.7 1.0
CG2 C:VAL217 3.6 37.7 1.0
CG C:MET219 3.9 41.2 1.0
CD C:GLN201 3.9 54.5 1.0
C5 C:2FD300 4.0 74.2 1.0
OE1 C:GLN201 4.2 57.8 1.0
CA C:GLY218 4.3 37.9 1.0
CG1 C:VAL217 4.3 37.2 1.0
SD C:MET219 4.4 41.7 1.0
N C:GLY218 4.4 37.2 1.0
C C:GLY218 4.4 38.8 1.0
O C:VAL217 4.4 40.2 1.0
C C:VAL217 4.5 38.2 1.0
CD1 C:PHE200 4.5 47.2 1.0
CB C:VAL217 4.5 38.4 1.0
O C:HOH323 4.6 47.6 1.0
CE1 C:PHE200 4.6 47.2 1.0
CG1 C:VAL195 4.6 43.5 1.0
O C:GLY218 4.7 39.6 1.0
N6 C:2FD300 4.7 73.0 1.0
N9 C:2FD300 4.7 77.9 1.0
C2' C:2FD300 4.7 80.9 1.0
CB C:VAL195 4.7 41.0 1.0
N C:MET219 4.9 40.2 1.0

Fluorine binding site 4 out of 4 in 3ggs

Go back to Fluorine Binding Sites List in 3ggs
Fluorine binding site 4 out of 4 in the Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoro-2'-Deoxyadenosine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human Purine Nucleoside Phosphorylase Double Mutant E201Q,N243D Complexed with 2-Fluoro-2'-Deoxyadenosine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F301

b:86.1
occ:1.00
 F C:2FD301 0.0 86.1 1.0
C2 C:2FD301 1.3 85.2 1.0
N3 C:2FD301 2.3 84.5 1.0
N1 C:2FD301 2.3 84.3 1.0
C4 C:2FD301 3.6 84.9 1.0
C6 C:2FD301 3.6 83.8 1.0
C5 C:2FD301 4.1 84.3 1.0
N6 C:2FD301 4.7 83.0 1.0
N9 C:2FD301 4.8 85.7 1.0
NZ C:LYS22 4.8 64.1 1.0
CZ C:PHE72 4.8 39.2 1.0
C2' C:2FD301 4.9 89.4 1.0
C3' C:2FD301 5.0 90.4 1.0

Reference:

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
Page generated: Wed Jul 31 18:52:35 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy