Fluorine in PDB 6fqm: 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna
Enzymatic activity of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna
All present enzymatic activity of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna:
5.99.1.3;
Protein crystallography data
The structure of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna, PDB code: 6fqm
was solved by
B.D.Bax,
T.Germe,
E.Basque,
A.Maxwell,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
59.90 /
3.06
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
88.340,
171.710,
124.870,
90.00,
102.86,
90.00
|
|
R / Rfree (%)
|
19.5 /
23.4
|
Other elements in 6fqm:
The structure of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna
(pdb code 6fqm). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 7 binding sites of Fluorine where determined in the
3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna, PDB code: 6fqm:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Fluorine binding site 1 out
of 7 in 6fqm
Go back to
Fluorine Binding Sites List in 6fqm
Fluorine binding site 1 out
of 7 in the 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F1001
b:71.9
occ:1.00
|
F25
|
E:E321001
|
0.0
|
71.9
|
1.0
|
|
C24
|
E:E321001
|
1.3
|
62.1
|
1.0
|
|
C23
|
E:E321001
|
2.3
|
60.0
|
1.0
|
|
C8
|
E:E321001
|
2.3
|
65.2
|
1.0
|
|
N6
|
E:E321001
|
2.8
|
69.5
|
1.0
|
|
C7
|
E:E321001
|
2.9
|
75.6
|
1.0
|
|
C2
|
F:DC4
|
3.1
|
80.8
|
1.0
|
|
N3
|
F:DC4
|
3.3
|
76.6
|
1.0
|
|
O2
|
F:DC4
|
3.3
|
68.5
|
1.0
|
|
C5
|
F:DA5
|
3.5
|
83.9
|
1.0
|
|
N7
|
F:DA5
|
3.5
|
84.3
|
1.0
|
|
N1
|
F:DC4
|
3.5
|
94.7
|
1.0
|
|
C8
|
F:DA5
|
3.5
|
84.8
|
1.0
|
|
C4
|
F:DA5
|
3.5
|
87.6
|
1.0
|
|
N9
|
F:DA5
|
3.6
|
89.2
|
1.0
|
|
C22
|
E:E321001
|
3.6
|
61.8
|
1.0
|
|
C9
|
E:E321001
|
3.6
|
66.2
|
1.0
|
|
C4
|
F:DC4
|
3.8
|
84.9
|
1.0
|
|
C2'
|
F:DC4
|
3.8
|
0.3
|
1.0
|
|
C2
|
E:E321001
|
3.9
|
87.9
|
1.0
|
|
C6
|
F:DC4
|
4.0
|
88.0
|
1.0
|
|
N2
|
E:DG1
|
4.1
|
64.7
|
1.0
|
|
C10
|
E:E321001
|
4.1
|
63.0
|
1.0
|
|
C6
|
F:DA5
|
4.1
|
82.0
|
1.0
|
|
C1'
|
F:DC4
|
4.1
|
0.9
|
1.0
|
|
C5
|
F:DC4
|
4.2
|
78.7
|
1.0
|
|
C5
|
E:E321001
|
4.2
|
80.9
|
1.0
|
|
N3
|
F:DA5
|
4.2
|
92.5
|
1.0
|
|
O4'
|
F:DA5
|
4.3
|
98.0
|
1.0
|
|
N1
|
E:DG1
|
4.3
|
58.1
|
1.0
|
|
C1'
|
F:DA5
|
4.3
|
94.3
|
1.0
|
|
C2
|
E:DG1
|
4.5
|
59.6
|
1.0
|
|
N4
|
F:DC4
|
4.6
|
94.3
|
1.0
|
|
C2
|
F:DA5
|
4.6
|
88.7
|
1.0
|
|
N1
|
F:DA5
|
4.6
|
83.0
|
1.0
|
|
C4
|
E:E321001
|
4.6
|
89.0
|
1.0
|
|
N6
|
F:DA5
|
4.7
|
79.5
|
1.0
|
|
N21
|
E:E321001
|
4.7
|
60.5
|
1.0
|
|
C3'
|
F:DC4
|
4.8
|
0.6
|
1.0
|
|
Fluorine binding site 2 out
of 7 in 6fqm
Go back to
Fluorine Binding Sites List in 6fqm
Fluorine binding site 2 out
of 7 in the 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F1003
b:84.1
occ:1.00
|
F25
|
E:E321003
|
0.0
|
84.1
|
1.0
|
|
C24
|
E:E321003
|
1.3
|
70.8
|
1.0
|
|
C23
|
E:E321003
|
2.3
|
61.7
|
1.0
|
|
C8
|
E:E321003
|
2.4
|
67.0
|
1.0
|
|
N6
|
E:E321003
|
3.0
|
72.9
|
1.0
|
|
C5
|
E:E321003
|
3.0
|
71.4
|
1.0
|
|
C2
|
E:DC4
|
3.1
|
88.1
|
1.0
|
|
N3
|
E:DC4
|
3.3
|
88.5
|
1.0
|
|
N7
|
E:DA5
|
3.4
|
74.7
|
1.0
|
|
C5
|
E:DA5
|
3.4
|
74.0
|
1.0
|
|
C8
|
E:DA5
|
3.4
|
76.2
|
1.0
|
|
O2
|
E:DC4
|
3.4
|
85.9
|
1.0
|
|
N1
|
E:DC4
|
3.5
|
93.5
|
1.0
|
|
C4
|
E:DA5
|
3.5
|
75.8
|
1.0
|
|
N9
|
E:DA5
|
3.5
|
78.6
|
1.0
|
|
C22
|
E:E321003
|
3.6
|
62.2
|
1.0
|
|
C9
|
E:E321003
|
3.6
|
58.0
|
1.0
|
|
C4
|
E:DC4
|
3.7
|
82.4
|
1.0
|
|
C2'
|
E:DC4
|
3.8
|
0.9
|
1.0
|
|
C6
|
E:DC4
|
3.9
|
84.0
|
1.0
|
|
C4
|
E:E321003
|
4.0
|
90.4
|
1.0
|
|
C6
|
E:DA5
|
4.1
|
73.6
|
1.0
|
|
C5
|
E:DC4
|
4.1
|
77.2
|
1.0
|
|
C10
|
E:E321003
|
4.1
|
61.0
|
1.0
|
|
N3
|
E:DA5
|
4.2
|
76.1
|
1.0
|
|
C1'
|
E:DC4
|
4.2
|
0.1
|
1.0
|
|
O4'
|
E:DA5
|
4.2
|
85.0
|
1.0
|
|
N2
|
F:DG1
|
4.2
|
55.4
|
1.0
|
|
C1'
|
E:DA5
|
4.2
|
80.3
|
1.0
|
|
C7
|
E:E321003
|
4.3
|
86.9
|
1.0
|
|
N1
|
F:DG1
|
4.4
|
60.7
|
1.0
|
|
N4
|
E:DC4
|
4.5
|
71.5
|
1.0
|
|
C2
|
E:DA5
|
4.6
|
73.3
|
1.0
|
|
N1
|
E:DA5
|
4.6
|
72.8
|
1.0
|
|
C2
|
F:DG1
|
4.6
|
63.6
|
1.0
|
|
N6
|
E:DA5
|
4.7
|
76.9
|
1.0
|
|
N21
|
E:E321003
|
4.7
|
61.1
|
1.0
|
|
C3'
|
E:DC4
|
4.8
|
0.8
|
1.0
|
|
C2
|
E:E321003
|
4.9
|
100.0
|
1.0
|
|
Fluorine binding site 3 out
of 7 in 6fqm
Go back to
Fluorine Binding Sites List in 6fqm
Fluorine binding site 3 out
of 7 in the 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:F101
b:86.3
occ:1.00
|
F25
|
F:E32101
|
0.0
|
86.3
|
1.0
|
|
C24
|
F:E32101
|
1.3
|
90.5
|
1.0
|
|
C23
|
F:E32101
|
2.3
|
86.7
|
1.0
|
|
C8
|
F:E32101
|
2.4
|
92.8
|
1.0
|
|
C7
|
F:E32101
|
2.8
|
97.7
|
1.0
|
|
N6
|
F:E32101
|
2.9
|
93.6
|
1.0
|
|
C4
|
F:DA-7
|
3.3
|
0.2
|
1.0
|
|
N3
|
F:DA-7
|
3.3
|
0.7
|
1.0
|
|
N9
|
F:DA-7
|
3.3
|
0.5
|
1.0
|
|
O4'
|
F:DA-7
|
3.4
|
0.2
|
1.0
|
|
C4
|
F:DG-8
|
3.4
|
93.0
|
1.0
|
|
N9
|
F:DG-8
|
3.5
|
0.5
|
1.0
|
|
C5'
|
F:DG-8
|
3.5
|
0.7
|
1.0
|
|
C22
|
F:E32101
|
3.6
|
92.0
|
1.0
|
|
C1'
|
F:DA-7
|
3.6
|
0.2
|
1.0
|
|
C8
|
F:DG-8
|
3.6
|
99.9
|
1.0
|
|
C9
|
F:E32101
|
3.6
|
93.3
|
1.0
|
|
C5
|
F:DG-8
|
3.6
|
89.6
|
1.0
|
|
N7
|
F:DG-8
|
3.8
|
85.9
|
1.0
|
|
C2
|
F:DA-7
|
3.9
|
0.4
|
1.0
|
|
C5
|
F:DA-7
|
3.9
|
0.1
|
1.0
|
|
N3
|
F:DG-8
|
3.9
|
85.0
|
1.0
|
|
O4'
|
F:DG-8
|
4.0
|
0.1
|
1.0
|
|
C4'
|
F:DG-8
|
4.1
|
0.0
|
1.0
|
|
C1'
|
F:DG-8
|
4.1
|
0.5
|
1.0
|
|
C8
|
F:DA-7
|
4.1
|
0.4
|
1.0
|
|
C10
|
F:E32101
|
4.1
|
97.6
|
1.0
|
|
C3'
|
F:DG-8
|
4.1
|
0.4
|
1.0
|
|
C2'
|
F:DG-8
|
4.2
|
0.6
|
1.0
|
|
C2
|
F:E32101
|
4.3
|
0.5
|
1.0
|
|
C6
|
F:DG-8
|
4.3
|
89.4
|
1.0
|
|
C5
|
F:E32101
|
4.4
|
87.4
|
1.0
|
|
O5'
|
F:DG-8
|
4.4
|
0.2
|
1.0
|
|
N7
|
F:DA-7
|
4.4
|
0.5
|
1.0
|
|
C6
|
F:DA-7
|
4.5
|
0.8
|
1.0
|
|
N1
|
F:DA-7
|
4.5
|
0.7
|
1.0
|
|
C2
|
F:DG-8
|
4.5
|
87.8
|
1.0
|
|
N1
|
F:DG-8
|
4.7
|
88.8
|
1.0
|
|
C4'
|
F:DA-7
|
4.7
|
0.2
|
1.0
|
|
N21
|
F:E32101
|
4.8
|
92.8
|
1.0
|
|
N1
|
F:E32101
|
4.9
|
0.7
|
1.0
|
|
C4
|
F:E32101
|
5.0
|
95.1
|
1.0
|
|
Fluorine binding site 4 out
of 7 in 6fqm
Go back to
Fluorine Binding Sites List in 6fqm
Fluorine binding site 4 out
of 7 in the 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
e:F1001
b:74.1
occ:1.00
|
F25
|
e:E321001
|
0.0
|
74.1
|
1.0
|
|
C24
|
e:E321001
|
1.3
|
77.9
|
1.0
|
|
C23
|
e:E321001
|
2.3
|
73.2
|
1.0
|
|
C8
|
e:E321001
|
2.4
|
79.8
|
1.0
|
|
N6
|
e:E321001
|
2.9
|
94.5
|
1.0
|
|
C5
|
e:E321001
|
2.9
|
95.0
|
1.0
|
|
C2
|
f:DC4
|
3.2
|
95.8
|
1.0
|
|
N3
|
f:DC4
|
3.3
|
81.0
|
1.0
|
|
C5
|
f:DA5
|
3.5
|
87.2
|
1.0
|
|
N1
|
f:DC4
|
3.5
|
99.5
|
1.0
|
|
N7
|
f:DA5
|
3.5
|
89.6
|
1.0
|
|
C8
|
f:DA5
|
3.5
|
90.0
|
1.0
|
|
C4
|
f:DA5
|
3.5
|
88.4
|
1.0
|
|
N9
|
f:DA5
|
3.5
|
92.2
|
1.0
|
|
O2
|
f:DC4
|
3.5
|
0.6
|
1.0
|
|
C22
|
e:E321001
|
3.6
|
69.7
|
1.0
|
|
C9
|
e:E321001
|
3.6
|
69.3
|
1.0
|
|
C4
|
f:DC4
|
3.7
|
81.5
|
1.0
|
|
C2'
|
f:DC4
|
3.8
|
0.4
|
1.0
|
|
C6
|
f:DC4
|
3.9
|
86.9
|
1.0
|
|
C5
|
f:DC4
|
4.0
|
78.3
|
1.0
|
|
C4
|
e:E321001
|
4.1
|
0.8
|
1.0
|
|
C6
|
f:DA5
|
4.1
|
88.4
|
1.0
|
|
C10
|
e:E321001
|
4.1
|
69.6
|
1.0
|
|
N2
|
e:DG1
|
4.1
|
73.3
|
1.0
|
|
N3
|
f:DA5
|
4.1
|
88.1
|
1.0
|
|
C1'
|
f:DC4
|
4.1
|
0.5
|
1.0
|
|
O4'
|
f:DA5
|
4.2
|
96.0
|
1.0
|
|
C7
|
e:E321001
|
4.2
|
0.9
|
1.0
|
|
C1'
|
f:DA5
|
4.2
|
94.7
|
1.0
|
|
N1
|
e:DG1
|
4.3
|
63.9
|
1.0
|
|
N4
|
f:DC4
|
4.5
|
84.3
|
1.0
|
|
C2
|
e:DG1
|
4.5
|
70.7
|
1.0
|
|
C2
|
f:DA5
|
4.6
|
88.1
|
1.0
|
|
N1
|
f:DA5
|
4.6
|
90.0
|
1.0
|
|
N6
|
f:DA5
|
4.8
|
89.6
|
1.0
|
|
N21
|
e:E321001
|
4.8
|
73.1
|
1.0
|
|
C3'
|
f:DC4
|
4.8
|
0.2
|
1.0
|
|
C2
|
e:E321001
|
4.8
|
0.0
|
1.0
|
|
Fluorine binding site 5 out
of 7 in 6fqm
Go back to
Fluorine Binding Sites List in 6fqm
Fluorine binding site 5 out
of 7 in the 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
f:F1001
b:69.3
occ:1.00
|
F25
|
f:E321001
|
0.0
|
69.3
|
1.0
|
|
C24
|
f:E321001
|
1.3
|
71.0
|
1.0
|
|
C23
|
f:E321001
|
2.3
|
73.5
|
1.0
|
|
C8
|
f:E321001
|
2.5
|
65.6
|
1.0
|
|
C7
|
f:E321001
|
2.9
|
79.8
|
1.0
|
|
N6
|
f:E321001
|
3.0
|
78.4
|
1.0
|
|
C2
|
e:DC4
|
3.2
|
93.6
|
1.0
|
|
N3
|
e:DC4
|
3.4
|
83.3
|
1.0
|
|
C5
|
e:DA5
|
3.4
|
83.2
|
1.0
|
|
C4
|
e:DA5
|
3.4
|
83.6
|
1.0
|
|
N7
|
e:DA5
|
3.5
|
85.5
|
1.0
|
|
C8
|
e:DA5
|
3.5
|
83.9
|
1.0
|
|
N9
|
e:DA5
|
3.5
|
86.4
|
1.0
|
|
N1
|
e:DC4
|
3.6
|
0.8
|
1.0
|
|
C22
|
f:E321001
|
3.6
|
66.3
|
1.0
|
|
O2
|
e:DC4
|
3.6
|
88.5
|
1.0
|
|
C9
|
f:E321001
|
3.7
|
61.9
|
1.0
|
|
C4
|
e:DC4
|
3.7
|
90.9
|
1.0
|
|
C6
|
e:DC4
|
4.0
|
86.8
|
1.0
|
|
C2'
|
e:DC4
|
4.0
|
0.5
|
1.0
|
|
O4'
|
e:DA5
|
4.0
|
0.7
|
1.0
|
|
C6
|
e:DA5
|
4.0
|
79.2
|
1.0
|
|
N3
|
e:DA5
|
4.0
|
80.7
|
1.0
|
|
C5
|
e:DC4
|
4.1
|
83.5
|
1.0
|
|
C10
|
f:E321001
|
4.2
|
66.1
|
1.0
|
|
C1'
|
e:DC4
|
4.3
|
0.8
|
1.0
|
|
C1'
|
e:DA5
|
4.3
|
93.5
|
1.0
|
|
C2
|
f:E321001
|
4.4
|
89.2
|
1.0
|
|
C5
|
f:E321001
|
4.4
|
91.7
|
1.0
|
|
C2
|
e:DA5
|
4.4
|
77.9
|
1.0
|
|
N1
|
f:DG1
|
4.5
|
66.6
|
1.0
|
|
N4
|
e:DC4
|
4.5
|
86.0
|
1.0
|
|
N2
|
f:DG1
|
4.5
|
66.8
|
1.0
|
|
N1
|
e:DA5
|
4.5
|
77.5
|
1.0
|
|
N6
|
e:DA5
|
4.6
|
79.8
|
1.0
|
|
N21
|
f:E321001
|
4.7
|
64.8
|
1.0
|
|
C2
|
f:DG1
|
4.8
|
69.5
|
1.0
|
|
N1
|
f:E321001
|
5.0
|
0.7
|
1.0
|
|
C3'
|
e:DC4
|
5.0
|
0.9
|
1.0
|
|
C20
|
f:E321001
|
5.0
|
67.6
|
1.0
|
|
Fluorine binding site 6 out
of 7 in 6fqm
Go back to
Fluorine Binding Sites List in 6fqm
Fluorine binding site 6 out
of 7 in the 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
f:F1002
b:30.9
occ:0.30
|
F25
|
f:E321002
|
0.0
|
30.9
|
0.3
|
|
C5
|
f:E321002
|
0.9
|
0.7
|
0.7
|
|
C24
|
f:E321002
|
1.3
|
30.1
|
0.3
|
|
N6
|
f:E321002
|
1.5
|
0.7
|
0.7
|
|
C8
|
f:E321002
|
2.1
|
0.6
|
0.7
|
|
C9
|
f:E321002
|
2.2
|
1.0
|
0.7
|
|
C8
|
f:E321002
|
2.3
|
30.8
|
0.3
|
|
C4
|
f:E321002
|
2.3
|
0.4
|
0.7
|
|
C23
|
f:E321002
|
2.4
|
29.2
|
0.3
|
|
C5
|
f:E321002
|
2.6
|
32.1
|
0.3
|
|
C7
|
f:E321002
|
2.7
|
0.6
|
0.7
|
|
N6
|
f:E321002
|
2.8
|
32.1
|
0.3
|
|
N3
|
f:DA-7
|
2.9
|
0.1
|
1.0
|
|
C2
|
f:E321002
|
3.1
|
0.0
|
0.7
|
|
C13
|
f:E321002
|
3.2
|
94.0
|
0.7
|
|
C2
|
f:DA-7
|
3.2
|
98.2
|
1.0
|
|
C4
|
f:DA-7
|
3.2
|
99.3
|
1.0
|
|
C24
|
f:E321002
|
3.5
|
0.6
|
0.7
|
|
C10
|
f:E321002
|
3.6
|
0.3
|
0.7
|
|
C9
|
f:E321002
|
3.6
|
30.2
|
0.3
|
|
C22
|
f:E321002
|
3.6
|
29.8
|
0.3
|
|
O4'
|
f:DA-7
|
3.7
|
0.3
|
1.0
|
|
N9
|
f:DA-7
|
3.8
|
0.0
|
1.0
|
|
N1
|
f:DA-7
|
3.8
|
95.5
|
1.0
|
|
C5
|
f:DA-7
|
3.9
|
96.5
|
1.0
|
|
C2'
|
f:DG-8
|
3.9
|
0.3
|
1.0
|
|
C4
|
f:DG-8
|
4.1
|
0.3
|
1.0
|
|
C10
|
f:E321002
|
4.1
|
29.8
|
0.3
|
|
N9
|
f:DG-8
|
4.1
|
0.4
|
1.0
|
|
C4
|
f:E321002
|
4.1
|
32.0
|
0.3
|
|
C6
|
f:DA-7
|
4.1
|
98.1
|
1.0
|
|
C7
|
f:E321002
|
4.2
|
31.5
|
0.3
|
|
C5
|
f:DG-8
|
4.2
|
0.2
|
1.0
|
|
C12
|
f:E321002
|
4.2
|
0.2
|
0.7
|
|
C1'
|
f:DA-7
|
4.2
|
0.4
|
1.0
|
|
F25
|
f:E321002
|
4.2
|
0.9
|
0.7
|
|
C8
|
f:DG-8
|
4.3
|
0.7
|
1.0
|
|
N1
|
f:E321002
|
4.3
|
0.8
|
0.7
|
|
N7
|
f:DG-8
|
4.3
|
0.1
|
1.0
|
|
N11
|
f:E321002
|
4.4
|
0.2
|
0.7
|
|
N3
|
f:DG-8
|
4.5
|
0.1
|
1.0
|
|
C23
|
f:E321002
|
4.5
|
0.1
|
0.7
|
|
C22
|
f:E321002
|
4.5
|
0.3
|
0.7
|
|
C14
|
f:E321002
|
4.6
|
0.7
|
0.7
|
|
C8
|
f:DA-7
|
4.6
|
0.4
|
1.0
|
|
C1'
|
f:DG-8
|
4.6
|
0.1
|
1.0
|
|
N7
|
f:DA-7
|
4.7
|
97.5
|
1.0
|
|
C6
|
f:DG-8
|
4.8
|
0.9
|
1.0
|
|
N21
|
f:E321002
|
4.8
|
30.5
|
0.3
|
|
C2
|
f:E321002
|
4.9
|
31.2
|
0.3
|
|
C2
|
f:DG-8
|
4.9
|
0.5
|
1.0
|
|
C4'
|
f:DA-7
|
5.0
|
0.3
|
1.0
|
|
Fluorine binding site 7 out
of 7 in 6fqm
Go back to
Fluorine Binding Sites List in 6fqm
Fluorine binding site 7 out
of 7 in the 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of 3.06A Complex of S.Aureus Gyrase with Imidazopyrazinone T1 and Dna within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
f:F1002
b:0.9
occ:0.70
|
F25
|
f:E321002
|
0.0
|
0.9
|
0.7
|
|
C24
|
f:E321002
|
1.3
|
0.6
|
0.7
|
|
C9
|
f:E321002
|
1.6
|
30.2
|
0.3
|
|
C7
|
f:E321002
|
2.0
|
31.5
|
0.3
|
|
C8
|
f:E321002
|
2.1
|
30.8
|
0.3
|
|
N6
|
f:E321002
|
2.3
|
32.1
|
0.3
|
|
C23
|
f:E321002
|
2.3
|
0.1
|
0.7
|
|
C8
|
f:E321002
|
2.4
|
0.6
|
0.7
|
|
C10
|
f:E321002
|
2.7
|
29.8
|
0.3
|
|
C7
|
f:E321002
|
2.8
|
0.6
|
0.7
|
|
N6
|
f:E321002
|
2.9
|
0.7
|
0.7
|
|
C12
|
f:E321002
|
3.2
|
31.4
|
0.3
|
|
C24
|
f:E321002
|
3.3
|
30.1
|
0.3
|
|
N11
|
f:E321002
|
3.3
|
30.2
|
0.3
|
|
C2
|
f:E321002
|
3.5
|
31.2
|
0.3
|
|
C22
|
f:E321002
|
3.6
|
0.3
|
0.7
|
|
C9
|
f:E321002
|
3.6
|
1.0
|
0.7
|
|
C22
|
f:E321002
|
3.7
|
29.8
|
0.3
|
|
C5
|
f:E321002
|
3.7
|
32.1
|
0.3
|
|
C2
|
f:E321002
|
3.9
|
0.0
|
0.7
|
|
C23
|
f:E321002
|
4.0
|
29.2
|
0.3
|
|
C10
|
f:E321002
|
4.1
|
0.3
|
0.7
|
|
O2
|
e:DT11
|
4.1
|
95.3
|
1.0
|
|
F25
|
f:E321002
|
4.2
|
30.9
|
0.3
|
|
C4
|
f:E321002
|
4.3
|
32.0
|
0.3
|
|
C5
|
f:E321002
|
4.3
|
0.7
|
0.7
|
|
N1
|
f:E321002
|
4.3
|
31.3
|
0.3
|
|
O6
|
f:DG-8
|
4.5
|
0.8
|
1.0
|
|
C13
|
f:E321002
|
4.5
|
31.8
|
0.3
|
|
C14
|
f:E321002
|
4.6
|
31.9
|
0.3
|
|
C15
|
f:E321002
|
4.7
|
30.2
|
0.3
|
|
N21
|
f:E321002
|
4.8
|
0.4
|
0.7
|
|
C2'
|
e:DT11
|
4.8
|
0.2
|
1.0
|
|
C6
|
f:DG-8
|
4.8
|
0.9
|
1.0
|
|
C4
|
f:E321002
|
4.8
|
0.4
|
0.7
|
|
C2
|
e:DT11
|
4.9
|
93.3
|
1.0
|
|
N21
|
f:E321002
|
4.9
|
30.5
|
0.3
|
|
N1
|
f:E321002
|
5.0
|
0.8
|
0.7
|
|
Reference:
T.Germe,
J.Voros,
F.Jeannot,
T.Taillier,
R.A.Stavenger,
E.Bacque,
A.Maxwell,
B.D.Bax.
A New Class of Antibacterials, the Imidazopyrazinones, Reveal Structural Transitions Involved in Dna Gyrase Poisoning and Mechanisms of Resistance. Nucleic Acids Res. V. 46 4114 2018.
ISSN: ESSN 1362-4962
PubMed: 29538767
DOI: 10.1093/NAR/GKY181
Page generated: Sun Dec 13 12:50:40 2020
|
