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Fluorine in PDB 1pke: Crystal Structure of E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate

Enzymatic activity of Crystal Structure of E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate

All present enzymatic activity of Crystal Structure of E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate:
2.4.2.1;

Protein crystallography data

The structure of Crystal Structure of E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate, PDB code: 1pke was solved by E.M.Bennett, C.Li, P.W.Allan, W.B.Parker, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.30
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 122.700, 122.700, 243.700, 90.00, 90.00, 120.00
R / Rfree (%) 17.3 / 24.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate (pdb code 1pke). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate, PDB code: 1pke:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 1pke

Go back to Fluorine Binding Sites List in 1pke
Fluorine binding site 1 out of 3 in the Crystal Structure of E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate


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 E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F446

b:20.1
occ:1.00
F A:2FD446 0.0 20.1 1.0
C2 A:2FD446 1.3 21.6 1.0
N1 A:2FD446 2.2 21.7 1.0
N3 A:2FD446 2.3 20.7 1.0
CG A:MET180 3.4 18.5 1.0
O A:HOH544 3.4 26.1 1.0
C6 A:2FD446 3.5 20.9 1.0
C4 A:2FD446 3.5 19.9 1.0
CD2 A:PHE159 3.7 17.6 1.0
O A:GLU179 3.8 18.9 1.0
SD A:MET180 3.9 19.5 1.0
CG1 A:VAL178 4.0 18.8 1.0
C5 A:2FD446 4.0 20.5 1.0
C A:GLU179 4.1 18.9 1.0
CA A:PHE159 4.2 20.8 1.0
CB A:ALA156 4.2 19.1 1.0
CA A:GLU179 4.3 18.6 1.0
CG A:PHE159 4.4 18.9 1.0
CE2 A:PHE159 4.4 19.0 1.0
CB A:PHE159 4.5 18.0 1.0
O A:HOH577 4.5 44.0 1.0
N6 A:2FD446 4.5 23.0 1.0
N A:GLU179 4.5 18.0 1.0
O A:VAL178 4.6 19.0 1.0
C A:VAL178 4.7 19.6 1.0
N9 A:2FD446 4.7 21.2 1.0
CB A:MET180 4.8 17.8 1.0
N A:MET180 4.8 19.2 1.0
C5' A:2FD446 4.9 23.8 1.0
CB A:VAL178 4.9 19.9 1.0
N A:PHE159 5.0 21.9 1.0

Fluorine binding site 2 out of 3 in 1pke

Go back to Fluorine Binding Sites List in 1pke
Fluorine binding site 2 out of 3 in the Crystal Structure of E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate


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 E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F447

b:23.7
occ:1.00
F B:2FD447 0.0 23.7 1.0
C2 B:2FD447 1.3 24.0 1.0
N1 B:2FD447 2.2 23.4 1.0
N3 B:2FD447 2.3 22.9 1.0
O B:HOH470 3.4 21.5 1.0
C6 B:2FD447 3.5 23.9 1.0
C4 B:2FD447 3.5 23.3 1.0
CG B:MET180 3.5 22.7 1.0
CD2 B:PHE159 3.5 20.5 1.0
O B:GLU179 3.8 19.8 1.0
SD B:MET180 3.9 24.1 1.0
CG1 B:VAL178 3.9 16.6 1.0
C5 B:2FD447 4.0 23.6 1.0
CE2 B:PHE159 4.1 21.1 1.0
C B:GLU179 4.2 20.6 1.0
CB B:ALA156 4.2 20.8 1.0
CA B:PHE159 4.2 22.8 1.0
CA B:GLU179 4.4 20.0 1.0
CG B:PHE159 4.4 21.9 1.0
O B:VAL178 4.5 20.9 1.0
N6 B:2FD447 4.5 24.0 1.0
CB B:PHE159 4.6 22.5 1.0
C B:VAL178 4.7 19.9 1.0
N B:GLU179 4.7 20.6 1.0
O B:HOH561 4.7 43.9 1.0
N9 B:2FD447 4.7 23.5 1.0
CB B:MET180 4.9 20.6 1.0
N B:MET180 4.9 19.3 1.0
O B:PHE159 4.9 22.7 1.0
CB B:VAL178 5.0 17.3 1.0

Fluorine binding site 3 out of 3 in 1pke

Go back to Fluorine Binding Sites List in 1pke
Fluorine binding site 3 out of 3 in the Crystal Structure of E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of E. Coli Purine Nucleoside Phosphorylase Complexed with 2-Fluoro-2'-Deoxyadenosine and Sulfate/Phosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F448

b:24.4
occ:1.00
F C:2FD448 0.0 24.4 1.0
C2 C:2FD448 1.3 24.2 1.0
N1 C:2FD448 2.2 24.0 1.0
N3 C:2FD448 2.3 24.2 1.0
CG C:MET180 3.3 22.7 1.0
C6 C:2FD448 3.4 22.7 1.0
C4 C:2FD448 3.5 23.1 1.0
O C:GLU179 3.7 21.2 1.0
CG1 C:VAL178 3.8 14.9 1.0
SD C:MET180 3.8 25.8 1.0
CD2 C:PHE159 3.9 22.1 1.0
CB C:ALA156 3.9 20.4 1.0
C5 C:2FD448 4.0 23.6 1.0
C C:GLU179 4.0 20.1 1.0
O C:HOH578 4.2 36.2 1.0
CA C:PHE159 4.2 21.6 1.0
CA C:GLU179 4.2 20.6 1.0
O C:VAL178 4.3 22.5 1.0
N C:GLU179 4.4 20.7 1.0
C C:VAL178 4.5 21.0 1.0
N6 C:2FD448 4.5 22.5 1.0
CB C:PHE159 4.6 23.4 1.0
CG C:PHE159 4.6 23.8 1.0
CE2 C:PHE159 4.6 23.1 1.0
N C:MET180 4.7 21.0 1.0
CB C:MET180 4.7 20.2 1.0
N9 C:2FD448 4.7 24.2 1.0
CB C:VAL178 4.8 17.4 1.0
N C:PHE159 4.9 23.1 1.0

Reference:

E.M.Bennett, C.Li, P.W.Allan, W.B.Parker, S.E.Ealick. Structural Basis For Substrate Specificity of Escherichia Coli Purine Nucleoside Phosphorylase. J.Biol.Chem. V. 278 47110 2003.
ISSN: ISSN 0021-9258
PubMed: 12937174
DOI: 10.1074/JBC.M304622200
Page generated: Wed Jul 31 12:20:13 2024

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