Fluorine in PDB 5swm: Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Enzymatic activity of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
All present enzymatic activity of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid:
3.1.26.4;
Protein crystallography data
The structure of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid, PDB code: 5swm
was solved by
P.S.Pallan,
M.Egli,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
26.60 /
1.50
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
37.474,
44.500,
62.174,
84.42,
89.90,
65.10
|
R / Rfree (%)
|
16.1 /
18.5
|
Other elements in 5swm:
The structure of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
30;
Page 4, Binding sites: 31 -
36;
Binding sites:
The binding sites of Fluorine atom in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
(pdb code 5swm). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 36 binding sites of Fluorine where determined in the
Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid, PDB code: 5swm:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 36 in 5swm
Go back to
Fluorine Binding Sites List in 5swm
Fluorine binding site 1 out
of 36 in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1
b:13.8
occ:0.40
|
F
|
C:GF21
|
0.0
|
13.8
|
0.4
|
C2'
|
C:UFT7
|
0.8
|
18.8
|
0.4
|
F2'
|
C:UFT7
|
1.0
|
18.8
|
0.4
|
C2'
|
C:GF21
|
1.4
|
13.4
|
0.4
|
C1'
|
C:UFT7
|
1.5
|
18.2
|
0.4
|
C3'
|
C:UFT7
|
1.9
|
18.1
|
0.4
|
O4'
|
C:UFT7
|
2.2
|
17.8
|
0.4
|
C1'
|
C:GF21
|
2.4
|
13.0
|
0.4
|
C3'
|
C:GF21
|
2.4
|
13.3
|
0.4
|
C4'
|
C:UFT7
|
2.4
|
18.7
|
0.4
|
O3'
|
C:UFT7
|
2.6
|
18.0
|
0.4
|
N1
|
C:UFT7
|
2.7
|
18.7
|
0.4
|
O3'
|
C:GF21
|
2.7
|
13.4
|
0.4
|
C4'
|
C:GF21
|
2.9
|
14.4
|
0.4
|
O4'
|
C:GF21
|
3.0
|
13.2
|
0.4
|
O2
|
C:UFT7
|
3.1
|
17.5
|
0.4
|
C2
|
C:UFT7
|
3.4
|
17.5
|
0.4
|
O4'
|
C:GF21
|
3.6
|
13.6
|
0.2
|
O4'
|
C:AF22
|
3.6
|
14.1
|
0.4
|
N9
|
C:GF21
|
3.7
|
12.0
|
0.4
|
C5'
|
C:AF22
|
3.7
|
14.1
|
0.4
|
C6
|
C:UFT7
|
3.7
|
18.1
|
0.4
|
O5'
|
C:AF22
|
3.8
|
13.9
|
0.4
|
O4'
|
C:GF28
|
3.8
|
18.8
|
0.4
|
C5'
|
C:UFT7
|
3.9
|
19.3
|
0.4
|
O5'
|
C:GF21
|
3.9
|
14.1
|
0.2
|
P
|
C:AF22
|
4.0
|
14.4
|
0.4
|
P
|
C:GF28
|
4.0
|
17.5
|
0.4
|
O5'
|
C:GF28
|
4.0
|
19.5
|
0.4
|
N3
|
C:GF21
|
4.0
|
11.3
|
0.4
|
C4
|
C:GF21
|
4.2
|
11.7
|
0.4
|
C4'
|
C:AF22
|
4.2
|
14.2
|
0.4
|
C5'
|
C:GF28
|
4.3
|
18.4
|
0.4
|
C8
|
C:GF28
|
4.3
|
16.9
|
0.4
|
C5'
|
C:GF21
|
4.4
|
15.0
|
0.4
|
N2
|
D:DG7
|
4.5
|
17.2
|
0.4
|
C4'
|
C:GF21
|
4.5
|
13.9
|
0.2
|
C5'
|
C:GF21
|
4.5
|
14.1
|
0.2
|
C8
|
C:AF22
|
4.6
|
15.0
|
0.4
|
C4'
|
C:GF28
|
4.6
|
18.5
|
0.4
|
C1'
|
C:GF21
|
4.7
|
14.0
|
0.2
|
N3
|
C:UFT7
|
4.7
|
17.3
|
0.4
|
OP2
|
C:GF28
|
4.7
|
18.0
|
0.4
|
C8
|
C:GF21
|
4.7
|
14.0
|
0.2
|
O5'
|
C:UFT7
|
4.8
|
22.0
|
0.4
|
C1'
|
C:AF22
|
4.8
|
14.6
|
0.4
|
OP2
|
C:AF22
|
4.8
|
14.2
|
0.4
|
C8
|
C:GF21
|
4.9
|
11.9
|
0.4
|
N9
|
C:GF28
|
4.9
|
16.6
|
0.4
|
C1'
|
C:GF28
|
4.9
|
18.0
|
0.4
|
C5
|
C:UFT7
|
5.0
|
17.3
|
0.4
|
N9
|
C:GF21
|
5.0
|
13.9
|
0.2
|
OP1
|
C:AF22
|
5.0
|
13.8
|
0.4
|
|
Fluorine binding site 2 out
of 36 in 5swm
Go back to
Fluorine Binding Sites List in 5swm
Fluorine binding site 2 out
of 36 in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1
b:19.7
occ:0.40
|
F
|
C:GF21
|
0.0
|
19.7
|
0.4
|
C2'
|
C:GF21
|
1.4
|
18.6
|
0.4
|
C1'
|
C:GF21
|
2.3
|
18.1
|
0.4
|
C3'
|
C:GF21
|
2.4
|
18.2
|
0.4
|
O3'
|
C:GF21
|
2.7
|
19.1
|
0.4
|
C4'
|
C:GF21
|
2.9
|
19.3
|
0.4
|
O4'
|
C:GF21
|
2.9
|
17.6
|
0.4
|
N9
|
C:GF21
|
3.5
|
16.3
|
0.4
|
O4'
|
C:AF22
|
3.9
|
21.3
|
0.4
|
C5'
|
C:AF22
|
3.9
|
22.3
|
0.4
|
N3
|
C:GF21
|
4.0
|
15.6
|
0.4
|
C4
|
C:GF21
|
4.1
|
15.7
|
0.4
|
O5'
|
C:AF22
|
4.1
|
21.6
|
0.4
|
P
|
C:AF22
|
4.1
|
21.8
|
0.4
|
C8
|
C:AF22
|
4.3
|
17.6
|
0.4
|
C5'
|
C:GF21
|
4.3
|
17.8
|
0.4
|
C4'
|
C:AF22
|
4.6
|
21.8
|
0.4
|
C8
|
C:GF21
|
4.7
|
15.6
|
0.4
|
N9
|
C:AF22
|
4.8
|
17.8
|
0.4
|
OP2
|
C:AF22
|
4.9
|
22.0
|
0.4
|
O5'
|
C:GF21
|
4.9
|
19.8
|
0.4
|
C1'
|
C:AF22
|
4.9
|
19.3
|
0.4
|
|
Fluorine binding site 3 out
of 36 in 5swm
Go back to
Fluorine Binding Sites List in 5swm
Fluorine binding site 3 out
of 36 in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F1
b:14.2
occ:0.20
|
F
|
C:GF21
|
0.0
|
14.2
|
0.2
|
F
|
C:GF28
|
0.6
|
20.3
|
0.4
|
C2'
|
C:GF28
|
0.8
|
18.4
|
0.4
|
F
|
C:AF22
|
1.0
|
16.6
|
0.4
|
C2'
|
C:AF22
|
1.2
|
15.0
|
0.4
|
C2'
|
C:GF21
|
1.4
|
13.6
|
0.2
|
C3'
|
C:AF22
|
1.6
|
15.5
|
0.4
|
O3'
|
C:AF22
|
1.7
|
16.6
|
0.4
|
C3'
|
C:GF28
|
1.8
|
18.8
|
0.4
|
C1'
|
C:GF28
|
2.0
|
18.0
|
0.4
|
C1'
|
C:GF21
|
2.3
|
14.0
|
0.2
|
C3'
|
C:GF21
|
2.4
|
13.5
|
0.2
|
O3'
|
C:GF28
|
2.4
|
21.1
|
0.4
|
C4'
|
C:GF28
|
2.4
|
18.5
|
0.4
|
C4'
|
C:AF22
|
2.4
|
14.2
|
0.4
|
C1'
|
C:AF22
|
2.5
|
14.6
|
0.4
|
O4'
|
C:GF28
|
2.6
|
18.8
|
0.4
|
O3'
|
C:GF21
|
2.7
|
13.6
|
0.2
|
C4'
|
C:GF21
|
2.9
|
13.9
|
0.2
|
O4'
|
C:AF22
|
2.9
|
14.1
|
0.4
|
P
|
C:CFZ3
|
3.0
|
18.3
|
0.4
|
O4'
|
C:GF21
|
3.1
|
13.6
|
0.2
|
C5'
|
C:CFZ3
|
3.1
|
15.9
|
0.4
|
O5'
|
C:CFZ3
|
3.1
|
17.6
|
0.4
|
N9
|
C:GF28
|
3.2
|
16.6
|
0.4
|
O4'
|
C:CFZ3
|
3.3
|
14.8
|
0.4
|
O4'
|
C:AF29
|
3.4
|
15.4
|
0.4
|
O5'
|
C:AF29
|
3.5
|
22.0
|
0.4
|
N9
|
C:GF21
|
3.5
|
13.9
|
0.2
|
O4'
|
C:AF22
|
3.5
|
11.0
|
0.2
|
C5'
|
C:AF29
|
3.5
|
19.8
|
0.4
|
C5'
|
C:AF22
|
3.5
|
12.0
|
0.2
|
P
|
C:AF29
|
3.6
|
22.8
|
0.4
|
N9
|
C:AF22
|
3.7
|
15.3
|
0.4
|
O5'
|
C:AF22
|
3.8
|
12.4
|
0.2
|
C4'
|
C:CFZ3
|
3.8
|
15.6
|
0.4
|
C5'
|
C:AF22
|
3.8
|
14.1
|
0.4
|
C5'
|
C:GF28
|
3.9
|
18.4
|
0.4
|
O2P
|
C:CFZ3
|
3.9
|
20.2
|
0.4
|
O1P
|
C:CFZ3
|
3.9
|
20.4
|
0.4
|
C4'
|
C:AF29
|
3.9
|
17.1
|
0.4
|
C4
|
C:GF28
|
3.9
|
16.4
|
0.4
|
P
|
C:AF22
|
3.9
|
13.1
|
0.2
|
N3
|
C:GF28
|
4.1
|
15.7
|
0.4
|
C4'
|
C:AF22
|
4.1
|
11.4
|
0.2
|
C4
|
C:GF21
|
4.1
|
13.7
|
0.2
|
N3
|
C:GF21
|
4.2
|
13.8
|
0.2
|
C8
|
C:GF28
|
4.2
|
16.9
|
0.4
|
C5'
|
C:GF21
|
4.4
|
14.1
|
0.2
|
C4
|
C:AF22
|
4.5
|
14.1
|
0.4
|
O5'
|
C:AF22
|
4.5
|
13.9
|
0.4
|
OP2
|
C:AF29
|
4.5
|
24.6
|
0.4
|
O5'
|
C:GF28
|
4.5
|
19.5
|
0.4
|
C6
|
C:CFZ3
|
4.5
|
13.5
|
0.4
|
C8
|
C:AF22
|
4.5
|
15.0
|
0.4
|
OP1
|
C:AF29
|
4.6
|
24.2
|
0.4
|
C8
|
C:GF21
|
4.6
|
14.0
|
0.2
|
C1'
|
C:CFZ3
|
4.6
|
14.5
|
0.4
|
C1'
|
C:AF29
|
4.7
|
15.4
|
0.4
|
N3
|
C:AF22
|
4.7
|
15.5
|
0.4
|
C8
|
C:AF22
|
4.8
|
11.1
|
0.2
|
C1'
|
C:AF22
|
4.8
|
11.1
|
0.2
|
OP1
|
C:AF22
|
4.8
|
13.4
|
0.2
|
OP2
|
C:AF22
|
4.8
|
14.1
|
0.2
|
N1
|
C:CFZ3
|
5.0
|
13.5
|
0.4
|
|
Fluorine binding site 4 out
of 36 in 5swm
Go back to
Fluorine Binding Sites List in 5swm
Fluorine binding site 4 out
of 36 in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F2
b:16.6
occ:0.40
|
F
|
C:AF22
|
0.0
|
16.6
|
0.4
|
F
|
C:GF28
|
0.8
|
20.3
|
0.4
|
F
|
C:GF21
|
1.0
|
14.2
|
0.2
|
C2'
|
C:AF22
|
1.4
|
15.0
|
0.4
|
C2'
|
C:GF28
|
1.5
|
18.4
|
0.4
|
C1'
|
C:GF28
|
2.0
|
18.0
|
0.4
|
C2'
|
C:GF21
|
2.0
|
13.6
|
0.2
|
C1'
|
C:AF22
|
2.3
|
14.6
|
0.4
|
C3'
|
C:AF22
|
2.4
|
15.5
|
0.4
|
C1'
|
C:GF21
|
2.4
|
14.0
|
0.2
|
O3'
|
C:AF22
|
2.7
|
16.6
|
0.4
|
C3'
|
C:GF28
|
2.7
|
18.8
|
0.4
|
O4'
|
C:GF28
|
2.8
|
18.8
|
0.4
|
C4'
|
C:AF22
|
2.9
|
14.2
|
0.4
|
O4'
|
C:AF22
|
2.9
|
14.1
|
0.4
|
C4'
|
C:GF28
|
3.0
|
18.5
|
0.4
|
C3'
|
C:GF21
|
3.3
|
13.5
|
0.2
|
N9
|
C:GF28
|
3.3
|
16.6
|
0.4
|
O4'
|
C:CFZ3
|
3.4
|
14.8
|
0.4
|
O4'
|
C:GF21
|
3.4
|
13.6
|
0.2
|
O3'
|
C:GF28
|
3.4
|
21.1
|
0.4
|
N9
|
C:GF21
|
3.6
|
13.9
|
0.2
|
C5'
|
C:CFZ3
|
3.6
|
15.9
|
0.4
|
N9
|
C:AF22
|
3.6
|
15.3
|
0.4
|
C4'
|
C:GF21
|
3.6
|
13.9
|
0.2
|
O4'
|
C:AF22
|
3.7
|
11.0
|
0.2
|
O4'
|
C:AF29
|
3.7
|
15.4
|
0.4
|
N3
|
C:GF28
|
3.7
|
15.7
|
0.4
|
O3'
|
C:GF21
|
3.8
|
13.6
|
0.2
|
N3
|
C:GF21
|
3.8
|
13.8
|
0.2
|
C4
|
C:GF28
|
3.8
|
16.4
|
0.4
|
O5'
|
C:CFZ3
|
3.9
|
17.6
|
0.4
|
C4
|
C:GF21
|
3.9
|
13.7
|
0.2
|
C4'
|
C:CFZ3
|
4.0
|
15.6
|
0.4
|
P
|
C:CFZ3
|
4.0
|
18.3
|
0.4
|
C5'
|
C:AF29
|
4.2
|
19.8
|
0.4
|
C5'
|
C:AF22
|
4.2
|
12.0
|
0.2
|
C4
|
C:AF22
|
4.3
|
14.1
|
0.4
|
N3
|
C:AF22
|
4.3
|
15.5
|
0.4
|
C4'
|
C:AF29
|
4.3
|
17.1
|
0.4
|
O5'
|
C:AF29
|
4.3
|
22.0
|
0.4
|
C5'
|
C:AF22
|
4.4
|
14.1
|
0.4
|
C4'
|
C:AF22
|
4.4
|
11.4
|
0.2
|
C8
|
C:GF28
|
4.5
|
16.9
|
0.4
|
C5'
|
C:GF28
|
4.5
|
18.4
|
0.4
|
O5'
|
C:AF22
|
4.6
|
12.4
|
0.2
|
C1'
|
C:CFZ3
|
4.6
|
14.5
|
0.4
|
P
|
C:AF29
|
4.6
|
22.8
|
0.4
|
C8
|
C:AF22
|
4.7
|
15.0
|
0.4
|
C8
|
C:GF21
|
4.8
|
14.0
|
0.2
|
C6
|
C:CFZ3
|
4.8
|
13.5
|
0.4
|
C1'
|
C:AF22
|
4.8
|
11.1
|
0.2
|
C1'
|
C:AF29
|
4.8
|
15.4
|
0.4
|
O2P
|
C:CFZ3
|
4.8
|
20.2
|
0.4
|
O1P
|
C:CFZ3
|
4.9
|
20.4
|
0.4
|
P
|
C:AF22
|
4.9
|
13.1
|
0.2
|
O
|
D:HOH223
|
4.9
|
35.1
|
1.0
|
C2
|
C:GF28
|
4.9
|
15.7
|
0.4
|
|
Fluorine binding site 5 out
of 36 in 5swm
Go back to
Fluorine Binding Sites List in 5swm
Fluorine binding site 5 out
of 36 in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F2
b:20.8
occ:0.40
|
F
|
C:AF22
|
0.0
|
20.8
|
0.4
|
C2'
|
C:AF22
|
1.4
|
19.7
|
0.4
|
C1'
|
C:AF22
|
2.3
|
19.3
|
0.4
|
C3'
|
C:AF22
|
2.4
|
20.8
|
0.4
|
O3'
|
C:AF22
|
2.7
|
21.7
|
0.4
|
C4'
|
C:AF22
|
2.8
|
21.8
|
0.4
|
O4'
|
C:AF22
|
2.9
|
21.3
|
0.4
|
C5'
|
C:CFZ3
|
3.2
|
21.4
|
0.4
|
O4'
|
C:CFZ3
|
3.3
|
19.9
|
0.4
|
N9
|
C:AF22
|
3.6
|
17.8
|
0.4
|
O5'
|
C:CFZ3
|
3.6
|
20.9
|
0.4
|
C4'
|
C:CFZ3
|
3.7
|
20.5
|
0.4
|
P
|
C:CFZ3
|
3.9
|
20.7
|
0.4
|
C4
|
C:AF22
|
4.3
|
16.5
|
0.4
|
C5'
|
C:AF22
|
4.3
|
22.3
|
0.4
|
N3
|
C:AF22
|
4.4
|
16.5
|
0.4
|
C8
|
C:AF22
|
4.6
|
17.6
|
0.4
|
O2P
|
C:CFZ3
|
4.7
|
23.8
|
0.4
|
C1'
|
C:CFZ3
|
4.7
|
18.6
|
0.4
|
C6
|
C:CFZ3
|
4.8
|
17.1
|
0.4
|
O1P
|
C:CFZ3
|
4.9
|
24.0
|
0.4
|
O5'
|
C:AF22
|
4.9
|
21.6
|
0.4
|
|
Fluorine binding site 6 out
of 36 in 5swm
Go back to
Fluorine Binding Sites List in 5swm
Fluorine binding site 6 out
of 36 in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F2
b:11.0
occ:0.20
|
F
|
C:AF22
|
0.0
|
11.0
|
0.2
|
F
|
C:AF29
|
0.7
|
17.1
|
0.4
|
F2'
|
C:CFZ3
|
0.8
|
14.9
|
0.4
|
C2'
|
C:CFZ3
|
1.3
|
14.2
|
0.4
|
C2'
|
C:AF22
|
1.4
|
11.0
|
0.2
|
C3'
|
C:CFZ3
|
1.8
|
14.7
|
0.4
|
O3'
|
C:CFZ3
|
1.9
|
15.0
|
0.4
|
C2'
|
C:AF29
|
1.9
|
15.4
|
0.4
|
C1'
|
C:AF22
|
2.3
|
11.1
|
0.2
|
C3'
|
C:AF22
|
2.3
|
11.1
|
0.2
|
C4'
|
C:CFZ3
|
2.5
|
15.6
|
0.4
|
C3'
|
C:AF29
|
2.6
|
15.7
|
0.4
|
C1'
|
C:CFZ3
|
2.6
|
14.5
|
0.4
|
O3'
|
C:AF29
|
2.6
|
14.2
|
0.4
|
O3'
|
C:AF22
|
2.6
|
11.1
|
0.2
|
C4'
|
C:AF22
|
2.7
|
11.4
|
0.2
|
C5'
|
C:AF24
|
2.8
|
12.6
|
0.4
|
O4'
|
C:AF22
|
2.8
|
11.0
|
0.2
|
C1'
|
C:AF29
|
2.9
|
15.4
|
0.4
|
C4'
|
C:AF29
|
2.9
|
17.1
|
0.4
|
O5'
|
C:AF24
|
2.9
|
14.2
|
0.4
|
C5'
|
C:CFZ3
|
3.0
|
10.1
|
0.2
|
P
|
C:AF24
|
3.0
|
15.8
|
0.4
|
O4'
|
C:CFZ3
|
3.1
|
14.8
|
0.4
|
O4'
|
C:CFZ3
|
3.2
|
9.7
|
0.2
|
O5'
|
C:UFT10
|
3.2
|
12.2
|
0.4
|
C5'
|
C:UFT10
|
3.3
|
11.9
|
0.4
|
O4'
|
C:AF29
|
3.3
|
15.4
|
0.4
|
O4'
|
C:AF24
|
3.5
|
11.7
|
0.4
|
C4'
|
C:CFZ3
|
3.6
|
10.1
|
0.2
|
O4'
|
C:UFT10
|
3.6
|
11.8
|
0.4
|
N9
|
C:AF22
|
3.6
|
11.0
|
0.2
|
P
|
C:UFT10
|
3.6
|
12.7
|
0.4
|
O
|
C:HOH106
|
3.7
|
36.4
|
1.0
|
O5'
|
C:CFZ3
|
3.7
|
10.4
|
0.2
|
C4'
|
C:AF24
|
3.7
|
12.5
|
0.4
|
N1
|
C:CFZ3
|
3.7
|
13.5
|
0.4
|
P
|
C:CFZ3
|
3.9
|
11.0
|
0.2
|
OP1
|
C:AF24
|
3.9
|
17.6
|
0.4
|
C5'
|
C:CFZ3
|
4.0
|
15.9
|
0.4
|
O2
|
C:CFZ3
|
4.0
|
13.7
|
0.4
|
C4'
|
C:UFT10
|
4.0
|
12.7
|
0.4
|
OP2
|
C:AF24
|
4.1
|
19.1
|
0.4
|
N9
|
C:AF29
|
4.2
|
14.3
|
0.4
|
C5'
|
C:AF22
|
4.2
|
12.0
|
0.2
|
C5'
|
C:AF29
|
4.3
|
19.8
|
0.4
|
C2
|
C:CFZ3
|
4.3
|
12.9
|
0.4
|
C4
|
C:AF22
|
4.3
|
11.0
|
0.2
|
OP1
|
C:UFT10
|
4.4
|
12.2
|
0.4
|
C8
|
C:AF24
|
4.5
|
10.8
|
0.4
|
N3
|
C:AF22
|
4.5
|
11.5
|
0.2
|
C1'
|
C:CFZ3
|
4.6
|
9.8
|
0.2
|
C8
|
C:AF22
|
4.6
|
11.1
|
0.2
|
C6
|
C:CFZ3
|
4.7
|
13.5
|
0.4
|
O
|
C:HOH130
|
4.7
|
28.1
|
1.0
|
O1P
|
C:CFZ3
|
4.7
|
11.5
|
0.2
|
N3
|
C:AF29
|
4.7
|
13.7
|
0.4
|
C6
|
C:CFZ3
|
4.7
|
9.9
|
0.2
|
OP2
|
C:UFT10
|
4.7
|
12.7
|
0.4
|
O5'
|
C:CFZ3
|
4.7
|
17.6
|
0.4
|
C1'
|
C:AF24
|
4.8
|
10.9
|
0.4
|
C4
|
C:AF29
|
4.8
|
13.4
|
0.4
|
C6
|
C:UFT10
|
4.8
|
12.9
|
0.4
|
O2P
|
C:CFZ3
|
4.8
|
10.9
|
0.2
|
C1'
|
C:UFT10
|
4.9
|
12.4
|
0.4
|
O5'
|
C:AF22
|
4.9
|
12.4
|
0.2
|
C3'
|
C:CFZ3
|
5.0
|
9.8
|
0.2
|
C3'
|
C:AF24
|
5.0
|
11.5
|
0.4
|
|
Fluorine binding site 7 out
of 36 in 5swm
Go back to
Fluorine Binding Sites List in 5swm
Fluorine binding site 7 out
of 36 in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F3
b:14.9
occ:0.40
|
F2'
|
C:CFZ3
|
0.0
|
14.9
|
0.4
|
F
|
C:AF22
|
0.8
|
11.0
|
0.2
|
F
|
C:AF29
|
0.9
|
17.1
|
0.4
|
C2'
|
C:CFZ3
|
1.4
|
14.2
|
0.4
|
C2'
|
C:AF22
|
1.7
|
11.0
|
0.2
|
C1'
|
C:AF22
|
2.1
|
11.1
|
0.2
|
C2'
|
C:AF29
|
2.2
|
15.4
|
0.4
|
C1'
|
C:CFZ3
|
2.3
|
14.5
|
0.4
|
C3'
|
C:CFZ3
|
2.3
|
14.7
|
0.4
|
O3'
|
C:CFZ3
|
2.7
|
15.0
|
0.4
|
C4'
|
C:CFZ3
|
2.8
|
15.6
|
0.4
|
C1'
|
C:AF29
|
2.8
|
15.4
|
0.4
|
O4'
|
C:AF22
|
2.8
|
11.0
|
0.2
|
C3'
|
C:AF22
|
2.9
|
11.1
|
0.2
|
O4'
|
C:CFZ3
|
2.9
|
14.8
|
0.4
|
O
|
C:HOH106
|
3.0
|
36.4
|
1.0
|
C4'
|
C:AF22
|
3.1
|
11.4
|
0.2
|
C3'
|
C:AF29
|
3.1
|
15.7
|
0.4
|
C4'
|
C:AF29
|
3.2
|
17.1
|
0.4
|
C5'
|
C:AF24
|
3.3
|
12.6
|
0.4
|
O4'
|
C:CFZ3
|
3.3
|
9.7
|
0.2
|
O3'
|
C:AF29
|
3.4
|
14.2
|
0.4
|
O3'
|
C:AF22
|
3.4
|
11.1
|
0.2
|
O4'
|
C:AF29
|
3.4
|
15.4
|
0.4
|
O4'
|
C:AF24
|
3.4
|
11.7
|
0.4
|
N9
|
C:AF22
|
3.4
|
11.0
|
0.2
|
O5'
|
C:AF24
|
3.5
|
14.2
|
0.4
|
O2
|
C:CFZ3
|
3.5
|
13.7
|
0.4
|
N1
|
C:CFZ3
|
3.6
|
13.5
|
0.4
|
C5'
|
C:CFZ3
|
3.6
|
10.1
|
0.2
|
O4'
|
C:UFT10
|
3.7
|
11.8
|
0.4
|
C5'
|
C:UFT10
|
3.8
|
11.9
|
0.4
|
P
|
C:AF24
|
3.8
|
15.8
|
0.4
|
O5'
|
C:UFT10
|
3.8
|
12.2
|
0.4
|
C4'
|
C:CFZ3
|
3.9
|
10.1
|
0.2
|
C4'
|
C:AF24
|
3.9
|
12.5
|
0.4
|
C2
|
C:CFZ3
|
4.0
|
12.9
|
0.4
|
C4
|
C:AF22
|
4.1
|
11.0
|
0.2
|
N9
|
C:AF29
|
4.1
|
14.3
|
0.4
|
N3
|
C:AF22
|
4.1
|
11.5
|
0.2
|
C4'
|
C:UFT10
|
4.2
|
12.7
|
0.4
|
C5'
|
C:CFZ3
|
4.3
|
15.9
|
0.4
|
O5'
|
C:CFZ3
|
4.3
|
10.4
|
0.2
|
N3
|
C:AF29
|
4.3
|
13.7
|
0.4
|
P
|
C:UFT10
|
4.3
|
12.7
|
0.4
|
C1'
|
C:CFZ3
|
4.6
|
9.8
|
0.2
|
O
|
C:HOH130
|
4.6
|
28.1
|
1.0
|
C8
|
C:AF22
|
4.6
|
11.1
|
0.2
|
C4
|
C:AF29
|
4.6
|
13.4
|
0.4
|
P
|
C:CFZ3
|
4.6
|
11.0
|
0.2
|
C5'
|
C:AF22
|
4.6
|
12.0
|
0.2
|
C8
|
C:AF24
|
4.6
|
10.8
|
0.4
|
C6
|
C:CFZ3
|
4.6
|
13.5
|
0.4
|
C5'
|
C:AF29
|
4.7
|
19.8
|
0.4
|
OP1
|
C:AF24
|
4.7
|
17.6
|
0.4
|
O
|
D:HOH217
|
4.7
|
33.2
|
1.0
|
C1'
|
C:AF24
|
4.7
|
10.9
|
0.4
|
OP2
|
C:AF24
|
4.8
|
19.1
|
0.4
|
C6
|
C:CFZ3
|
4.9
|
9.9
|
0.2
|
N2
|
C:GF28
|
4.9
|
15.9
|
0.4
|
C1'
|
C:UFT10
|
5.0
|
12.4
|
0.4
|
C6
|
C:UFT10
|
5.0
|
12.9
|
0.4
|
N2
|
C:GF21
|
5.0
|
14.3
|
0.2
|
|
Fluorine binding site 8 out
of 36 in 5swm
Go back to
Fluorine Binding Sites List in 5swm
Fluorine binding site 8 out
of 36 in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F3
b:19.4
occ:0.40
|
F2'
|
C:CFZ3
|
0.0
|
19.4
|
0.4
|
C2'
|
C:CFZ3
|
1.4
|
18.7
|
0.4
|
C1'
|
C:CFZ3
|
2.3
|
18.6
|
0.4
|
C3'
|
C:CFZ3
|
2.4
|
19.5
|
0.4
|
O3'
|
C:CFZ3
|
2.7
|
20.5
|
0.4
|
C4'
|
C:CFZ3
|
2.9
|
20.5
|
0.4
|
O4'
|
C:CFZ3
|
3.0
|
19.9
|
0.4
|
C5'
|
C:AF24
|
3.1
|
16.7
|
0.4
|
O5'
|
C:AF24
|
3.3
|
17.5
|
0.4
|
O4'
|
C:AF24
|
3.6
|
15.7
|
0.4
|
N1
|
C:CFZ3
|
3.6
|
16.9
|
0.4
|
P
|
C:AF24
|
3.7
|
19.4
|
0.4
|
C4'
|
C:AF24
|
3.8
|
16.6
|
0.4
|
O2
|
C:CFZ3
|
3.9
|
16.9
|
0.4
|
O
|
C:HOH102
|
4.0
|
28.2
|
1.0
|
C2
|
C:CFZ3
|
4.2
|
16.5
|
0.4
|
C5'
|
C:CFZ3
|
4.4
|
21.4
|
0.4
|
OP1
|
C:AF24
|
4.4
|
21.3
|
0.4
|
C6
|
C:CFZ3
|
4.6
|
17.1
|
0.4
|
OP2
|
C:AF24
|
4.8
|
20.8
|
0.4
|
C8
|
C:AF24
|
4.8
|
16.5
|
0.4
|
C1'
|
C:AF24
|
4.9
|
16.1
|
0.4
|
|
Fluorine binding site 9 out
of 36 in 5swm
Go back to
Fluorine Binding Sites List in 5swm
Fluorine binding site 9 out
of 36 in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F3
b:9.7
occ:0.20
|
F2'
|
C:CFZ3
|
0.0
|
9.7
|
0.2
|
F
|
C:AF24
|
0.3
|
11.1
|
0.4
|
F2'
|
C:UFT10
|
0.6
|
12.9
|
0.4
|
C2'
|
C:AF24
|
1.2
|
11.4
|
0.4
|
C2'
|
C:CFZ3
|
1.4
|
9.8
|
0.2
|
C2'
|
C:UFT10
|
1.7
|
12.0
|
0.4
|
C3'
|
C:AF24
|
2.1
|
11.5
|
0.4
|
C1'
|
C:AF24
|
2.3
|
10.9
|
0.4
|
C1'
|
C:CFZ3
|
2.4
|
9.8
|
0.2
|
C3'
|
C:CFZ3
|
2.4
|
9.8
|
0.2
|
C1'
|
C:UFT10
|
2.4
|
12.4
|
0.4
|
C3'
|
C:UFT10
|
2.4
|
12.0
|
0.4
|
O3'
|
C:AF24
|
2.5
|
11.5
|
0.4
|
C4'
|
C:AF24
|
2.6
|
12.5
|
0.4
|
C4'
|
C:UFT10
|
2.6
|
12.7
|
0.4
|
O3'
|
C:CFZ3
|
2.7
|
9.8
|
0.2
|
O4'
|
C:AF24
|
2.8
|
11.7
|
0.4
|
O4'
|
C:UFT10
|
2.9
|
11.8
|
0.4
|
O3'
|
C:UFT10
|
2.9
|
11.8
|
0.4
|
C4'
|
C:CFZ3
|
2.9
|
10.1
|
0.2
|
O4'
|
C:CFZ3
|
3.1
|
9.7
|
0.2
|
O
|
A:ASN132
|
3.2
|
12.1
|
1.0
|
N
|
A:GLN134
|
3.2
|
11.2
|
1.0
|
CB
|
A:GLN134
|
3.4
|
17.2
|
1.0
|
CE
|
A:LYS180
|
3.4
|
14.4
|
1.0
|
O5'
|
C:AF24
|
3.5
|
10.3
|
0.2
|
N9
|
C:AF24
|
3.6
|
11.0
|
0.4
|
O
|
C:HOH109
|
3.6
|
17.4
|
1.0
|
N1
|
C:CFZ3
|
3.6
|
9.9
|
0.2
|
O5'
|
C:CFZ5
|
3.6
|
13.2
|
0.4
|
O2
|
C:CFZ3
|
3.7
|
9.7
|
0.2
|
P
|
C:CFZ5
|
3.7
|
12.7
|
0.4
|
N1
|
C:UFT10
|
3.8
|
12.7
|
0.4
|
P
|
C:AF24
|
3.8
|
10.0
|
0.2
|
CA
|
A:GLN134
|
3.9
|
13.2
|
1.0
|
O4'
|
C:AF24
|
3.9
|
12.2
|
0.2
|
NZ
|
A:LYS180
|
3.9
|
15.8
|
1.0
|
C5'
|
C:CFZ5
|
4.0
|
12.5
|
0.4
|
C5'
|
C:UFT10
|
4.1
|
11.9
|
0.4
|
C5'
|
C:AF24
|
4.1
|
12.6
|
0.4
|
C2
|
C:CFZ3
|
4.1
|
10.0
|
0.2
|
O2
|
C:UFT10
|
4.1
|
12.6
|
0.4
|
O
|
C:HOH130
|
4.2
|
28.1
|
1.0
|
C
|
A:SER133
|
4.2
|
10.5
|
1.0
|
O4'
|
C:CFZ5
|
4.2
|
11.7
|
0.4
|
P
|
C:UFT11
|
4.3
|
11.7
|
0.4
|
CA
|
A:SER133
|
4.3
|
10.2
|
1.0
|
C4
|
C:AF24
|
4.3
|
10.5
|
0.4
|
C
|
A:ASN132
|
4.3
|
10.6
|
1.0
|
O5'
|
C:UFT11
|
4.3
|
12.1
|
0.4
|
C5'
|
C:CFZ3
|
4.4
|
10.1
|
0.2
|
N3
|
C:AF24
|
4.4
|
10.2
|
0.4
|
O4'
|
C:UFT11
|
4.4
|
11.5
|
0.4
|
C2
|
C:UFT10
|
4.5
|
13.3
|
0.4
|
O2P
|
C:CFZ5
|
4.5
|
11.5
|
0.4
|
C4'
|
C:CFZ5
|
4.5
|
12.3
|
0.4
|
C5'
|
C:AF24
|
4.5
|
10.6
|
0.2
|
C4'
|
C:AF24
|
4.6
|
11.6
|
0.2
|
C8
|
C:AF24
|
4.6
|
10.8
|
0.4
|
CD
|
A:LYS180
|
4.6
|
15.3
|
1.0
|
C6
|
C:CFZ3
|
4.6
|
9.9
|
0.2
|
OP1
|
C:AF24
|
4.7
|
9.7
|
0.2
|
CG
|
A:GLN134
|
4.7
|
22.4
|
1.0
|
N
|
A:SER133
|
4.8
|
10.1
|
1.0
|
C6
|
C:UFT10
|
4.8
|
12.9
|
0.4
|
O1P
|
C:CFZ5
|
4.8
|
13.2
|
0.4
|
OP2
|
C:AF24
|
4.8
|
10.1
|
0.2
|
O5'
|
C:AF24
|
4.8
|
14.2
|
0.4
|
O5'
|
C:UFT10
|
4.9
|
12.2
|
0.4
|
OP1
|
C:UFT11
|
4.9
|
11.6
|
0.4
|
O5'
|
C:CFZ3
|
4.9
|
10.4
|
0.2
|
O
|
D:HOH219
|
5.0
|
24.4
|
1.0
|
|
Fluorine binding site 10 out
of 36 in 5swm
Go back to
Fluorine Binding Sites List in 5swm
Fluorine binding site 10 out
of 36 in the Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid
Mono view
Stereo pair view
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Bacillus Halodurans Rnase H Mutant D132N in Complex with 12-Mer Frna/Dna Hybrid within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F4
b:11.1
occ:0.40
|
F
|
C:AF24
|
0.0
|
11.1
|
0.4
|
F2'
|
C:CFZ3
|
0.3
|
9.7
|
0.2
|
F2'
|
C:UFT10
|
0.7
|
12.9
|
0.4
|
C2'
|
C:AF24
|
1.4
|
11.4
|
0.4
|
C2'
|
C:CFZ3
|
1.6
|
9.8
|
0.2
|
C2'
|
C:UFT10
|
1.9
|
12.0
|
0.4
|
C1'
|
C:AF24
|
2.3
|
10.9
|
0.4
|
C3'
|
C:AF24
|
2.4
|
11.5
|
0.4
|
C1'
|
C:CFZ3
|
2.5
|
9.8
|
0.2
|
C1'
|
C:UFT10
|
2.5
|
12.4
|
0.4
|
C3'
|
C:CFZ3
|
2.7
|
9.8
|
0.2
|
C3'
|
C:UFT10
|
2.7
|
12.0
|
0.4
|
C4'
|
C:AF24
|
2.8
|
12.5
|
0.4
|
O3'
|
C:AF24
|
2.8
|
11.5
|
0.4
|
C4'
|
C:UFT10
|
2.8
|
12.7
|
0.4
|
O4'
|
C:AF24
|
2.9
|
11.7
|
0.4
|
N
|
A:GLN134
|
2.9
|
11.2
|
1.0
|
O4'
|
C:UFT10
|
3.0
|
11.8
|
0.4
|
O3'
|
C:CFZ3
|
3.0
|
9.8
|
0.2
|
CB
|
A:GLN134
|
3.1
|
17.2
|
1.0
|
C4'
|
C:CFZ3
|
3.1
|
10.1
|
0.2
|
O3'
|
C:UFT10
|
3.2
|
11.8
|
0.4
|
O4'
|
C:CFZ3
|
3.2
|
9.7
|
0.2
|
O
|
A:ASN132
|
3.2
|
12.1
|
1.0
|
O
|
C:HOH109
|
3.4
|
17.4
|
1.0
|
CE
|
A:LYS180
|
3.5
|
14.4
|
1.0
|
CA
|
A:GLN134
|
3.6
|
13.2
|
1.0
|
N9
|
C:AF24
|
3.7
|
11.0
|
0.4
|
O2
|
C:CFZ3
|
3.7
|
9.7
|
0.2
|
N1
|
C:CFZ3
|
3.7
|
9.9
|
0.2
|
O5'
|
C:AF24
|
3.7
|
10.3
|
0.2
|
O5'
|
C:CFZ5
|
3.9
|
13.2
|
0.4
|
N1
|
C:UFT10
|
3.9
|
12.7
|
0.4
|
C
|
A:SER133
|
3.9
|
10.5
|
1.0
|
P
|
C:CFZ5
|
4.0
|
12.7
|
0.4
|
O4'
|
C:AF24
|
4.0
|
12.2
|
0.2
|
NZ
|
A:LYS180
|
4.0
|
15.8
|
1.0
|
P
|
C:AF24
|
4.1
|
10.0
|
0.2
|
CA
|
A:SER133
|
4.1
|
10.2
|
1.0
|
O
|
C:HOH130
|
4.1
|
28.1
|
1.0
|
O2
|
C:UFT10
|
4.2
|
12.6
|
0.4
|
C5'
|
C:CFZ5
|
4.2
|
12.5
|
0.4
|
C2
|
C:CFZ3
|
4.2
|
10.0
|
0.2
|
C5'
|
C:AF24
|
4.3
|
12.6
|
0.4
|
C5'
|
C:UFT10
|
4.3
|
11.9
|
0.4
|
C
|
A:ASN132
|
4.3
|
10.6
|
1.0
|
O4'
|
C:CFZ5
|
4.3
|
11.7
|
0.4
|
C4
|
C:AF24
|
4.4
|
10.5
|
0.4
|
N3
|
C:AF24
|
4.4
|
10.2
|
0.4
|
CG
|
A:GLN134
|
4.4
|
22.4
|
1.0
|
C2
|
C:UFT10
|
4.5
|
13.3
|
0.4
|
P
|
C:UFT11
|
4.6
|
11.7
|
0.4
|
O5'
|
C:UFT11
|
4.6
|
12.1
|
0.4
|
O4'
|
C:UFT11
|
4.6
|
11.5
|
0.4
|
CD
|
A:LYS180
|
4.6
|
15.3
|
1.0
|
C5'
|
C:CFZ3
|
4.6
|
10.1
|
0.2
|
C4'
|
C:CFZ5
|
4.6
|
12.3
|
0.4
|
N
|
A:SER133
|
4.7
|
10.1
|
1.0
|
C4'
|
C:AF24
|
4.7
|
11.6
|
0.2
|
O2P
|
C:CFZ5
|
4.7
|
11.5
|
0.4
|
C5'
|
C:AF24
|
4.7
|
10.6
|
0.2
|
C8
|
C:AF24
|
4.7
|
10.8
|
0.4
|
C
|
A:GLN134
|
4.8
|
13.2
|
1.0
|
O
|
D:HOH219
|
4.8
|
24.4
|
1.0
|
N
|
A:THR135
|
4.8
|
12.4
|
1.0
|
C6
|
C:CFZ3
|
4.8
|
9.9
|
0.2
|
OP1
|
C:AF24
|
4.9
|
9.7
|
0.2
|
C6
|
C:UFT10
|
4.9
|
12.9
|
0.4
|
CD
|
A:GLN134
|
5.0
|
34.1
|
1.0
|
|
Reference:
P.S.Pallan,
T.P.Prakash,
A.R.De Leon,
M.Egli.
Limits of Rna 2'-Oh Mimicry By Fluorine: Crystal Structure of Bacillus Halodurans Rnase H Bound to A 2'-Frna:Dna Hybrid. Biochemistry V. 55 5321 2016.
ISSN: ISSN 0006-2960
PubMed: 27611889
DOI: 10.1021/ACS.BIOCHEM.6B00849
Page generated: Thu Aug 1 14:57:12 2024
|