Fluorine in PDB 2v7x: X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met
Enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met
All present enzymatic activity of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met:
2.5.1.63;
Protein crystallography data
The structure of X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met, PDB code: 2v7x
was solved by
D.A.Robinson,
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)
|
35.20 /
1.96
|
Space group
|
C 2 2 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
74.575,
127.355,
180.192,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.4 /
22.3
|
Fluorine Binding Sites:
The binding sites of Fluorine atom in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met
(pdb code 2v7x). 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 S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met, PDB code: 2v7x:
Jump to Fluorine binding site number:
1;
2;
3;
Fluorine binding site 1 out
of 3 in 2v7x
Go back to
Fluorine Binding Sites List in 2v7x
Fluorine binding site 1 out
of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met
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 S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F1601
b:32.2
occ:1.00
|
F19
|
A:5FD1601
|
0.0
|
32.2
|
1.0
|
C5'
|
A:5FD1601
|
1.4
|
28.9
|
1.0
|
C4'
|
A:5FD1601
|
2.3
|
24.5
|
1.0
|
N
|
A:TYR157
|
2.6
|
18.9
|
1.0
|
N
|
A:ALA158
|
2.8
|
19.6
|
1.0
|
C
|
A:PHE156
|
3.0
|
18.6
|
1.0
|
O4'
|
A:5FD1601
|
3.1
|
22.3
|
1.0
|
CA
|
A:PHE156
|
3.1
|
18.6
|
1.0
|
O
|
A:THR155
|
3.3
|
20.9
|
1.0
|
OG1
|
A:THR80
|
3.3
|
21.2
|
1.0
|
CA
|
A:TYR157
|
3.4
|
19.7
|
1.0
|
C
|
A:TYR157
|
3.5
|
19.7
|
1.0
|
CB
|
A:THR80
|
3.5
|
22.1
|
1.0
|
C3'
|
A:5FD1601
|
3.6
|
23.4
|
1.0
|
CB
|
A:ALA158
|
3.7
|
19.6
|
1.0
|
N
|
A:PHE156
|
3.7
|
19.5
|
1.0
|
C
|
A:THR155
|
3.8
|
19.9
|
1.0
|
CA
|
A:ALA158
|
3.8
|
19.1
|
1.0
|
CB
|
A:TYR77
|
3.9
|
20.3
|
1.0
|
O3'
|
A:5FD1601
|
3.9
|
31.8
|
1.0
|
CB
|
A:TYR157
|
3.9
|
19.9
|
1.0
|
CD1
|
A:PHE156
|
3.9
|
17.3
|
1.0
|
O
|
A:PHE156
|
3.9
|
18.2
|
1.0
|
CG2
|
A:THR80
|
4.1
|
19.7
|
1.0
|
C1'
|
A:5FD1601
|
4.2
|
18.0
|
1.0
|
O
|
A:TYR77
|
4.4
|
20.7
|
1.0
|
SD
|
A:MET1600
|
4.4
|
36.8
|
1.0
|
CB
|
A:PHE156
|
4.4
|
18.4
|
1.0
|
C2'
|
A:5FD1601
|
4.6
|
19.2
|
1.0
|
CG
|
A:TYR77
|
4.6
|
20.7
|
1.0
|
CG
|
A:PHE156
|
4.6
|
18.2
|
1.0
|
O
|
A:HOH2119
|
4.7
|
25.1
|
1.0
|
O
|
A:TYR157
|
4.7
|
19.9
|
1.0
|
CE1
|
A:PHE156
|
4.8
|
14.4
|
1.0
|
N
|
A:ARG159
|
4.8
|
18.5
|
1.0
|
C
|
A:ALA158
|
4.9
|
19.0
|
1.0
|
CA
|
A:THR80
|
4.9
|
21.6
|
1.0
|
CG
|
A:MET1600
|
5.0
|
26.5
|
1.0
|
CD1
|
A:TYR77
|
5.0
|
19.4
|
1.0
|
|
Fluorine binding site 2 out
of 3 in 2v7x
Go back to
Fluorine Binding Sites List in 2v7x
Fluorine binding site 2 out
of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met
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 S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F1601
b:31.7
occ:1.00
|
F19
|
B:5FD1601
|
0.0
|
31.7
|
1.0
|
C5'
|
B:5FD1601
|
1.4
|
30.5
|
1.0
|
C4'
|
B:5FD1601
|
2.3
|
28.0
|
1.0
|
N
|
B:TYR157
|
2.6
|
19.1
|
1.0
|
N
|
B:ALA158
|
2.7
|
19.0
|
1.0
|
C
|
B:PHE156
|
3.0
|
18.9
|
1.0
|
O4'
|
B:5FD1601
|
3.1
|
25.3
|
1.0
|
CA
|
B:PHE156
|
3.1
|
18.8
|
1.0
|
O
|
B:THR155
|
3.3
|
21.1
|
1.0
|
OG1
|
B:THR80
|
3.4
|
21.4
|
1.0
|
CA
|
B:TYR157
|
3.4
|
19.6
|
1.0
|
C
|
B:TYR157
|
3.5
|
19.7
|
1.0
|
CB
|
B:THR80
|
3.6
|
22.0
|
1.0
|
C3'
|
B:5FD1601
|
3.6
|
26.9
|
1.0
|
CB
|
B:ALA158
|
3.7
|
18.6
|
1.0
|
N
|
B:PHE156
|
3.8
|
19.4
|
1.0
|
CA
|
B:ALA158
|
3.8
|
18.8
|
1.0
|
CD1
|
B:PHE156
|
3.8
|
17.9
|
1.0
|
C
|
B:THR155
|
3.8
|
19.7
|
1.0
|
O
|
B:PHE156
|
3.9
|
18.7
|
1.0
|
CB
|
B:TYR157
|
4.0
|
20.6
|
1.0
|
CB
|
B:TYR77
|
4.0
|
20.0
|
1.0
|
O3'
|
B:5FD1601
|
4.1
|
31.5
|
1.0
|
CG2
|
B:THR80
|
4.1
|
20.7
|
1.0
|
C1'
|
B:5FD1601
|
4.2
|
23.4
|
1.0
|
O
|
B:TYR77
|
4.4
|
20.9
|
1.0
|
CB
|
B:PHE156
|
4.4
|
18.8
|
1.0
|
SD
|
B:MET1600
|
4.5
|
46.9
|
1.0
|
CG
|
B:PHE156
|
4.6
|
18.4
|
1.0
|
CG
|
B:MET1600
|
4.6
|
41.1
|
1.0
|
C2'
|
B:5FD1601
|
4.6
|
23.9
|
1.0
|
CE1
|
B:PHE156
|
4.7
|
18.8
|
1.0
|
CG
|
B:TYR77
|
4.7
|
19.2
|
1.0
|
O
|
B:TYR157
|
4.7
|
19.3
|
1.0
|
N
|
B:ARG159
|
4.8
|
18.8
|
1.0
|
C
|
B:ALA158
|
4.9
|
19.0
|
1.0
|
CA
|
B:THR80
|
5.0
|
21.6
|
1.0
|
|
Fluorine binding site 3 out
of 3 in 2v7x
Go back to
Fluorine Binding Sites List in 2v7x
Fluorine binding site 3 out
of 3 in the X-Ray Crystal Structure of 5'-Fluorodeoxyadenosine Synthase S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met
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 S158A Mutant From Streptomyces Cattleya Complexed with the Products, Fda and Met within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1601
b:28.4
occ:1.00
|
F19
|
C:5FD1601
|
0.0
|
28.4
|
1.0
|
C5'
|
C:5FD1601
|
1.4
|
26.9
|
1.0
|
C4'
|
C:5FD1601
|
2.3
|
25.3
|
1.0
|
N
|
C:ALA158
|
2.7
|
18.9
|
1.0
|
N
|
C:TYR157
|
2.8
|
19.6
|
1.0
|
O4'
|
C:5FD1601
|
3.1
|
24.2
|
1.0
|
C
|
C:PHE156
|
3.2
|
18.9
|
1.0
|
CA
|
C:PHE156
|
3.2
|
18.8
|
1.0
|
CB
|
C:ALA158
|
3.5
|
18.0
|
1.0
|
O
|
C:THR155
|
3.5
|
20.8
|
1.0
|
C3'
|
C:5FD1601
|
3.5
|
25.2
|
1.0
|
C
|
C:TYR157
|
3.6
|
19.9
|
1.0
|
CA
|
C:TYR157
|
3.6
|
19.8
|
1.0
|
OG1
|
C:THR80
|
3.6
|
20.9
|
1.0
|
CA
|
C:ALA158
|
3.7
|
18.7
|
1.0
|
CB
|
C:THR80
|
3.7
|
21.1
|
1.0
|
CD1
|
C:PHE156
|
3.8
|
16.9
|
1.0
|
CB
|
C:TYR77
|
3.9
|
20.3
|
1.0
|
O3'
|
C:5FD1601
|
3.9
|
32.7
|
1.0
|
N
|
C:PHE156
|
3.9
|
19.3
|
1.0
|
C
|
C:THR155
|
4.0
|
19.8
|
1.0
|
O
|
C:PHE156
|
4.1
|
18.9
|
1.0
|
CB
|
C:TYR157
|
4.1
|
20.6
|
1.0
|
CG2
|
C:THR80
|
4.2
|
21.0
|
1.0
|
C1'
|
C:5FD1601
|
4.3
|
21.8
|
1.0
|
O
|
C:TYR77
|
4.4
|
20.7
|
1.0
|
CB
|
C:PHE156
|
4.5
|
18.3
|
1.0
|
SD
|
C:MET1600
|
4.5
|
36.9
|
1.0
|
CG
|
C:PHE156
|
4.6
|
18.0
|
1.0
|
CE1
|
C:PHE156
|
4.6
|
17.7
|
1.0
|
C2'
|
C:5FD1601
|
4.6
|
25.1
|
1.0
|
CG
|
C:TYR77
|
4.6
|
20.7
|
1.0
|
O
|
C:HOH2110
|
4.7
|
33.0
|
1.0
|
O
|
C:TYR157
|
4.8
|
19.8
|
1.0
|
N
|
C:ARG159
|
4.8
|
18.4
|
1.0
|
C
|
C:ALA158
|
4.8
|
18.6
|
1.0
|
CG
|
C:MET1600
|
4.8
|
31.5
|
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: Wed Jul 31 16:04:18 2024
|