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Chlorine in PDB 2v7u: X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion

Enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion

All present enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion:
2.5.1.63;

Protein crystallography data

The structure of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion, PDB code: 2v7u 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) 30.70 / 2.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 76.224, 129.377, 183.080, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 20.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion (pdb code 2v7u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion, PDB code: 2v7u:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2v7u

Go back to Chlorine Binding Sites List in 2v7u
Chlorine binding site 1 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1300

b:31.8
occ:1.00
O A:HOH2064 2.9 19.3 1.0
N A:GLY158 3.0 16.9 1.0
CA A:GLY158 3.1 16.8 1.0
O3' B:SAM1299 3.2 26.3 1.0
C5' B:SAM1299 3.2 28.3 1.0
CD1 A:PHE156 3.3 20.1 1.0
C4' B:SAM1299 3.4 24.0 1.0
C3' B:SAM1299 3.4 22.3 1.0
CE1 A:PHE156 3.6 19.7 1.0
CD2 A:LEU17 3.6 17.6 1.0
N A:ARG159 4.0 16.9 1.0
C A:GLY158 4.0 16.7 1.0
C A:PHE156 4.1 18.0 1.0
N A:TYR157 4.3 17.6 1.0
C A:TYR157 4.3 17.1 1.0
CA A:PHE156 4.3 18.1 1.0
O A:PHE156 4.4 17.6 1.0
CG A:PHE156 4.5 18.6 1.0
CG A:LEU17 4.5 19.0 1.0
SD B:SAM1299 4.6 30.7 1.0
CG B:SAM1299 4.6 25.9 1.0
OG1 A:THR75 4.6 20.4 1.0
CD1 A:LEU17 4.7 18.4 1.0
CB A:TYR77 4.8 16.4 1.0
O4' B:SAM1299 4.8 19.9 1.0
CA A:TYR157 4.9 17.4 1.0
CZ A:PHE156 4.9 18.4 1.0
OD1 A:ASP16 4.9 21.3 1.0
C2' B:SAM1299 5.0 20.6 1.0

Chlorine binding site 2 out of 3 in 2v7u

Go back to Chlorine Binding Sites List in 2v7u
Chlorine binding site 2 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1301

b:33.3
occ:1.00
O B:HOH2078 2.9 21.1 1.0
N B:GLY158 3.0 16.7 1.0
CA B:GLY158 3.1 16.7 1.0
O3' B:SAM1300 3.2 20.7 1.0
CD1 B:PHE156 3.4 20.6 1.0
C5' B:SAM1300 3.4 24.4 1.0
C3' B:SAM1300 3.4 21.1 1.0
C4' B:SAM1300 3.5 22.7 1.0
CE1 B:PHE156 3.6 21.1 1.0
CD2 B:LEU17 3.7 19.2 1.0
N B:ARG159 3.9 17.0 1.0
C B:GLY158 3.9 16.6 1.0
C B:PHE156 4.2 17.8 1.0
C B:TYR157 4.3 16.8 1.0
N B:TYR157 4.4 17.4 1.0
CA B:PHE156 4.5 18.2 1.0
CG B:LEU17 4.5 18.0 1.0
OG1 B:THR75 4.5 19.1 1.0
O B:PHE156 4.5 17.3 1.0
CG B:PHE156 4.6 20.0 1.0
SD B:SAM1300 4.7 27.0 1.0
CD1 B:LEU17 4.7 17.7 1.0
CG B:SAM1300 4.7 23.8 1.0
CB B:TYR77 4.7 17.0 1.0
OD1 B:ASP16 4.8 22.9 1.0
CZ B:PHE156 4.9 20.1 1.0
CA B:TYR157 4.9 17.2 1.0
O4' B:SAM1300 4.9 21.7 1.0
CG2 B:THR75 4.9 18.7 1.0
C2' B:SAM1300 4.9 20.9 1.0
O B:GLY158 5.0 17.1 1.0

Chlorine binding site 3 out of 3 in 2v7u

Go back to Chlorine Binding Sites List in 2v7u
Chlorine binding site 3 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosylmethionine and Chloride Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1299

b:36.3
occ:1.00
O C:HOH2083 3.0 24.0 1.0
N C:GLY158 3.1 16.4 1.0
O3' A:SAM1299 3.2 27.2 1.0
C5' A:SAM1299 3.2 27.4 1.0
CA C:GLY158 3.2 16.8 1.0
C4' A:SAM1299 3.3 26.0 1.0
CD1 C:PHE156 3.4 19.5 1.0
C3' A:SAM1299 3.4 25.6 1.0
CE1 C:PHE156 3.6 21.0 1.0
CD2 C:LEU17 3.7 19.9 1.0
N C:ARG159 4.0 16.9 1.0
C C:GLY158 4.1 16.5 1.0
C C:PHE156 4.2 17.6 1.0
N C:TYR157 4.3 17.4 1.0
CA C:PHE156 4.3 18.0 1.0
C C:TYR157 4.4 16.9 1.0
CG A:SAM1299 4.5 28.7 1.0
O C:PHE156 4.5 17.4 1.0
CG C:LEU17 4.5 18.8 1.0
CG C:PHE156 4.5 19.4 1.0
SD A:SAM1299 4.5 29.8 1.0
CD1 C:LEU17 4.6 16.1 1.0
OG1 C:THR75 4.6 19.0 1.0
CB C:TYR77 4.7 16.1 1.0
O4' A:SAM1299 4.8 24.1 1.0
C2' A:SAM1299 4.9 24.3 1.0
CZ C:PHE156 4.9 20.3 1.0
CA C:TYR157 4.9 17.2 1.0
OD1 C:ASP16 5.0 22.7 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: Fri Jul 11 00:42:17 2025

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