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Chlorine in PDB 2v7t: X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosyl-L-Homocysteine and Chloride Ion

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

All present enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosyl-L-Homocysteine 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-Adenosyl-L-Homocysteine and Chloride Ion, PDB code: 2v7t 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) 36.94 / 2.15
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 76.279, 127.811, 182.805, 90.00, 90.00, 90.00
R / Rfree (%) 16.9 / 21.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosyl-L-Homocysteine and Chloride Ion (pdb code 2v7t). 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-Adenosyl-L-Homocysteine and Chloride Ion, PDB code: 2v7t:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 2v7t

Go back to Chlorine Binding Sites List in 2v7t
Chlorine binding site 1 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosyl-L-Homocysteine 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-Adenosyl-L-Homocysteine and Chloride Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1300

b:30.6
occ:1.00
O A:HOH2004 2.9 25.2 1.0
O3' B:SAH1299 3.0 25.5 1.0
N A:GLY158 3.0 25.6 1.0
C4' B:SAH1299 3.2 25.5 1.0
CA A:GLY158 3.2 25.3 1.0
C3' B:SAH1299 3.2 23.0 1.0
CD1 A:PHE156 3.4 27.5 1.0
C5' B:SAH1299 3.6 26.4 1.0
CE1 A:PHE156 3.8 26.4 1.0
CD2 A:LEU17 3.8 24.2 1.0
C A:PHE156 4.0 27.3 1.0
N A:TYR157 4.1 26.4 1.0
C A:GLY158 4.1 24.8 1.0
N A:ARG159 4.1 25.1 1.0
CA A:PHE156 4.2 27.8 1.0
C A:TYR157 4.2 25.8 1.0
O A:PHE156 4.3 27.6 1.0
O4' B:SAH1299 4.5 26.0 1.0
CG A:PHE156 4.5 27.3 1.0
CB A:TYR77 4.6 25.1 1.0
CG B:SAH1299 4.6 26.2 1.0
CG A:LEU17 4.7 26.4 1.0
OG1 A:THR75 4.7 25.7 1.0
CA A:TYR157 4.7 25.9 1.0
C2' B:SAH1299 4.7 23.7 1.0
SD B:SAH1299 4.8 29.4 1.0
O A:THR155 4.8 30.4 1.0
OD1 A:ASP16 4.8 27.1 1.0
CD1 A:LEU17 4.9 23.3 1.0
CB A:PHE156 5.0 27.3 1.0

Chlorine binding site 2 out of 3 in 2v7t

Go back to Chlorine Binding Sites List in 2v7t
Chlorine binding site 2 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosyl-L-Homocysteine 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-Adenosyl-L-Homocysteine and Chloride Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1300

b:29.8
occ:1.00
N B:GLY158 2.9 25.5 1.0
O3' C:SAH1299 2.9 25.1 1.0
O B:HOH2003 3.0 23.6 1.0
CA B:GLY158 3.1 25.3 1.0
C4' C:SAH1299 3.3 27.7 1.0
C3' C:SAH1299 3.3 25.8 1.0
CD1 B:PHE156 3.5 27.4 1.0
C5' C:SAH1299 3.7 27.3 1.0
CE1 B:PHE156 3.8 27.6 1.0
CD2 B:LEU17 3.8 22.3 1.0
C B:PHE156 4.0 27.2 1.0
C B:GLY158 4.0 25.0 1.0
N B:ARG159 4.0 25.0 1.0
N B:TYR157 4.1 26.1 1.0
C B:TYR157 4.2 25.4 1.0
CA B:PHE156 4.2 27.6 1.0
O B:PHE156 4.3 26.7 1.0
CG B:LEU17 4.5 24.5 1.0
O4' C:SAH1299 4.6 26.3 1.0
CG C:SAH1299 4.6 28.8 1.0
CB B:TYR77 4.6 25.7 1.0
CG B:PHE156 4.6 27.2 1.0
CA B:TYR157 4.7 26.0 1.0
CD1 B:LEU17 4.7 24.0 1.0
O B:THR155 4.7 30.2 1.0
OG1 B:THR75 4.8 24.9 1.0
C2' C:SAH1299 4.8 26.2 1.0
OD1 B:ASP16 4.9 28.3 1.0
SD C:SAH1299 4.9 33.5 1.0

Chlorine binding site 3 out of 3 in 2v7t

Go back to Chlorine Binding Sites List in 2v7t
Chlorine binding site 3 out of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158G Mutant Complexed with S-Adenosyl-L-Homocysteine 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-Adenosyl-L-Homocysteine and Chloride Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1300

b:32.2
occ:1.00
O3' A:SAH1299 3.0 30.3 1.0
N C:GLY158 3.1 25.6 1.0
O C:HOH2039 3.1 29.1 1.0
C4' A:SAH1299 3.2 26.9 1.0
CA C:GLY158 3.3 25.4 1.0
C3' A:SAH1299 3.3 27.2 1.0
CD1 C:PHE156 3.5 26.6 1.0
C5' A:SAH1299 3.5 27.8 1.0
CD2 C:LEU17 3.8 25.1 1.0
CE1 C:PHE156 3.9 27.4 1.0
C C:PHE156 4.0 27.1 1.0
N C:ARG159 4.1 24.9 1.0
N C:TYR157 4.1 26.6 1.0
C C:GLY158 4.2 25.1 1.0
CA C:PHE156 4.2 27.6 1.0
C C:TYR157 4.3 25.8 1.0
O C:PHE156 4.4 27.0 1.0
CG A:SAH1299 4.4 26.7 1.0
O4' A:SAH1299 4.5 26.9 1.0
CG C:LEU17 4.6 25.2 1.0
CG C:PHE156 4.6 26.7 1.0
CB C:TYR77 4.6 25.4 1.0
O C:THR155 4.7 30.0 1.0
SD A:SAH1299 4.8 31.7 1.0
CD1 C:LEU17 4.8 23.4 1.0
OG1 C:THR75 4.8 25.8 1.0
C2' A:SAH1299 4.8 26.2 1.0
CA C:TYR157 4.8 25.8 1.0
OD1 C:ASP16 4.9 25.7 1.0
CB C:PHE156 5.0 26.8 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: Sat Jul 20 11:40:36 2024

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