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Fluorine in PDB 2v7w: X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin

Enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin

All present enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin:
2.5.1.63;

Protein crystallography data

The structure of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin, PDB code: 2v7w was solved by X.Zhu, D.O'hagan, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.38 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 75.854, 129.256, 184.485, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin (pdb code 2v7w). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin, PDB code: 2v7w:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 2v7w

Go back to Fluorine Binding Sites List in 2v7w
Fluorine binding site 1 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1299

b:26.1
occ:1.00
F19 A:5FD1299 0.0 26.1 1.0
C5' A:5FD1299 1.3 21.3 1.0
C4' A:5FD1299 2.3 19.2 1.0
N C:GLY158 2.9 18.5 1.0
C3' A:5FD1299 3.2 18.7 1.0
O4' A:5FD1299 3.3 19.4 1.0
CD1 C:PHE156 3.5 18.8 1.0
N C:TYR157 3.5 18.3 1.0
O3' A:5FD1299 3.5 18.7 1.0
CA C:GLY158 3.5 18.5 1.0
O A:HOH2195 3.6 21.1 1.0
CA C:PHE156 3.7 18.1 1.0
C C:PHE156 3.7 18.1 1.0
C C:TYR157 4.0 18.4 1.0
CB C:TYR77 4.0 18.5 1.0
O C:THR155 4.0 18.8 1.0
CE1 C:PHE156 4.1 19.4 1.0
CA C:TYR157 4.2 18.1 1.0
OG1 C:THR80 4.4 16.2 1.0
O C:PHE156 4.4 17.5 1.0
C1' A:5FD1299 4.4 17.4 1.0
O C:HOH2117 4.4 33.1 1.0
CG C:PHE156 4.5 19.3 1.0
CB C:THR80 4.5 17.7 1.0
N C:PHE156 4.5 18.3 1.0
C2' A:5FD1299 4.5 16.4 1.0
CD2 C:LEU17 4.5 19.8 1.0
C C:THR155 4.6 18.7 1.0
C C:GLY158 4.6 18.9 1.0
N C:ARG159 4.7 18.4 1.0
CB C:PHE156 4.7 18.6 1.0
O C:TYR77 4.7 18.8 1.0
CB C:TYR157 4.8 18.2 1.0
CG C:TYR77 4.9 18.1 1.0
CG2 C:THR80 4.9 17.4 1.0

Fluorine binding site 2 out of 3 in 2v7w

Go back to Fluorine Binding Sites List in 2v7w
Fluorine binding site 2 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1299

b:29.8
occ:1.00
F19 B:5FD1299 0.0 29.8 1.0
C5' B:5FD1299 1.4 21.8 1.0
C4' B:5FD1299 2.3 20.2 1.0
N A:GLY158 2.8 18.8 1.0
C3' B:5FD1299 3.2 17.6 1.0
O4' B:5FD1299 3.3 17.1 1.0
CA A:GLY158 3.4 18.4 1.0
CD1 A:PHE156 3.5 20.1 1.0
O3' B:5FD1299 3.5 19.1 1.0
O A:HOH2058 3.5 22.4 1.0
N A:TYR157 3.5 17.8 1.0
C A:PHE156 3.7 17.9 1.0
CA A:PHE156 3.7 18.1 1.0
C A:TYR157 3.9 18.4 1.0
O A:THR155 4.0 19.0 1.0
CE1 A:PHE156 4.0 19.1 1.0
CB A:TYR77 4.1 19.1 1.0
CA A:TYR157 4.3 18.2 1.0
O A:PHE156 4.3 17.3 1.0
CD2 A:LEU17 4.3 20.9 1.0
C1' B:5FD1299 4.5 17.0 1.0
CG A:PHE156 4.5 18.9 1.0
C A:GLY158 4.5 19.1 1.0
C2' B:5FD1299 4.5 17.1 1.0
N A:ARG159 4.6 18.7 1.0
OG1 A:THR80 4.6 17.6 1.0
N A:PHE156 4.6 18.1 1.0
C A:THR155 4.7 18.8 1.0
CB A:PHE156 4.7 18.5 1.0
CB A:THR80 4.7 18.9 1.0
O A:HOH2110 4.7 40.1 1.0
CB A:TYR157 4.9 18.0 1.0
O A:TYR77 5.0 18.3 1.0

Fluorine binding site 3 out of 3 in 2v7w

Go back to Fluorine Binding Sites List in 2v7w
Fluorine binding site 3 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with 5'-Fluorodeoxyadenosin within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1299

b:29.9
occ:1.00
F19 C:5FD1299 0.0 29.9 1.0
C5' C:5FD1299 1.4 25.0 1.0
C4' C:5FD1299 2.3 22.8 1.0
N B:GLY158 2.8 18.3 1.0
N B:TYR157 3.2 18.5 1.0
O4' C:5FD1299 3.3 19.9 1.0
C3' C:5FD1299 3.3 19.9 1.0
C B:PHE156 3.4 18.2 1.0
CD1 B:PHE156 3.5 19.5 1.0
CA B:PHE156 3.5 18.3 1.0
CA B:GLY158 3.6 18.3 1.0
O3' C:5FD1299 3.6 19.4 1.0
O C:HOH2201 3.8 20.5 1.0
C B:TYR157 3.8 18.4 1.0
O B:THR155 3.9 19.1 1.0
CA B:TYR157 4.0 18.1 1.0
CB B:TYR77 4.0 18.2 1.0
CE1 B:PHE156 4.2 21.1 1.0
OG1 B:THR80 4.2 18.3 1.0
O B:PHE156 4.2 17.4 1.0
N B:PHE156 4.3 18.1 1.0
CB B:THR80 4.3 19.0 1.0
C1' C:5FD1299 4.4 19.7 1.0
C B:THR155 4.5 18.4 1.0
CG B:PHE156 4.5 20.2 1.0
C2' C:5FD1299 4.5 18.6 1.0
CB B:PHE156 4.6 18.9 1.0
CD2 B:LEU17 4.6 20.3 1.0
CB B:TYR157 4.6 18.7 1.0
N B:ARG159 4.7 18.5 1.0
O B:HOH2111 4.7 37.8 1.0
C B:GLY158 4.7 18.9 1.0
O B:TYR77 4.7 18.7 1.0
CG2 B:THR80 4.8 17.2 1.0
CG B:TYR77 4.9 18.5 1.0
O B:TYR157 5.0 17.7 1.0

Reference:

X.Zhu, D.A.Robinson, A.R.Mcewan, D.O'hagan, J.H.Naismith. Mechanism of Enzymatic Fluorination in Streptomyces Cattleya. J. Am. Chem. Soc. V. 129 14597 2007.
ISSN: ESSN 1520-5126
PubMed: 17985882
DOI: 10.1021/JA0731569
Page generated: Mon Jul 14 14:23:12 2025

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