Fluorine in PDB 5g1a: Bordetella Alcaligenes Hdah Bound to Pfsaha
Enzymatic activity of Bordetella Alcaligenes Hdah Bound to Pfsaha
All present enzymatic activity of Bordetella Alcaligenes Hdah Bound to Pfsaha:
3.5.1.4;
Protein crystallography data
The structure of Bordetella Alcaligenes Hdah Bound to Pfsaha, PDB code: 5g1a
was solved by
A.Kraemer,
F.J.Meyer-Almes,
O.Yildiz,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
87.96 /
1.42
|
|
Space group
|
P 42 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
101.440,
101.440,
175.930,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
14.4 /
17
|
Other elements in 5g1a:
The structure of Bordetella Alcaligenes Hdah Bound to Pfsaha also contains other interesting chemical elements:
Fluorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
24;
Binding sites:
The binding sites of Fluorine atom in the Bordetella Alcaligenes Hdah Bound to Pfsaha
(pdb code 5g1a). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 24 binding sites of Fluorine where determined in the
Bordetella Alcaligenes Hdah Bound to Pfsaha, PDB code: 5g1a:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 24 in 5g1a
Go back to
Fluorine Binding Sites List in 5g1a
Fluorine binding site 1 out
of 24 in the Bordetella Alcaligenes Hdah Bound to Pfsaha
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Bordetella Alcaligenes Hdah Bound to Pfsaha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F373
b:20.6
occ:0.70
|
F
|
A:7H1373
|
0.0
|
20.6
|
0.7
|
|
C1
|
A:7H1373
|
1.3
|
18.8
|
0.7
|
|
F1
|
A:7H1373
|
2.1
|
23.6
|
0.7
|
|
C
|
A:7H1373
|
2.3
|
17.0
|
0.7
|
|
C2
|
A:7H1373
|
2.3
|
20.9
|
0.7
|
|
N
|
A:7H1373
|
2.5
|
14.3
|
0.7
|
|
F3
|
A:7H1373
|
2.6
|
23.2
|
0.7
|
|
F7
|
A:7H1373
|
2.7
|
23.7
|
0.7
|
|
F6
|
A:7H1373
|
2.8
|
22.0
|
0.7
|
|
C4
|
A:7H1373
|
3.0
|
21.1
|
0.7
|
|
C3
|
A:7H1373
|
3.0
|
20.7
|
0.7
|
|
O
|
A:GLY151
|
3.0
|
13.9
|
1.0
|
|
O
|
A:HOH2276
|
3.1
|
36.3
|
1.0
|
|
CD2
|
A:HIS143
|
3.3
|
15.4
|
1.0
|
|
F2
|
A:7H1373
|
3.4
|
22.1
|
0.7
|
|
O1
|
A:7H1373
|
3.4
|
15.0
|
0.7
|
|
NE2
|
A:HIS143
|
3.5
|
17.1
|
1.0
|
|
F4
|
A:7H1373
|
3.6
|
22.4
|
0.7
|
|
C
|
A:GLY151
|
3.7
|
14.6
|
1.0
|
|
O
|
A:7H1373
|
3.8
|
13.5
|
0.7
|
|
CA
|
A:GLY151
|
3.8
|
15.9
|
1.0
|
|
CD2
|
A:PHE152
|
4.0
|
17.9
|
0.5
|
|
F5
|
A:7H1373
|
4.1
|
24.6
|
0.7
|
|
O
|
A:HOH2414
|
4.3
|
33.2
|
1.0
|
|
OH
|
A:TYR312
|
4.3
|
15.6
|
1.0
|
|
CD2
|
A:PHE152
|
4.4
|
13.5
|
0.5
|
|
CE2
|
A:PHE152
|
4.4
|
18.8
|
0.5
|
|
C5
|
A:7H1373
|
4.5
|
23.9
|
0.7
|
|
CG
|
A:HIS143
|
4.6
|
13.6
|
1.0
|
|
CD2
|
A:PHE208
|
4.6
|
15.1
|
1.0
|
|
CE1
|
A:HIS143
|
4.8
|
15.4
|
1.0
|
|
CG
|
A:PHE152
|
4.8
|
18.2
|
0.5
|
|
CE2
|
A:PHE208
|
4.8
|
16.0
|
1.0
|
|
F10
|
A:7H1373
|
4.8
|
29.4
|
0.7
|
|
N
|
A:PHE152
|
4.8
|
14.6
|
0.5
|
|
N
|
A:PHE152
|
4.8
|
14.2
|
0.5
|
|
CE2
|
A:PHE152
|
4.9
|
14.3
|
0.5
|
|
Fluorine binding site 2 out
of 24 in 5g1a
Go back to
Fluorine Binding Sites List in 5g1a
Fluorine binding site 2 out
of 24 in the Bordetella Alcaligenes Hdah Bound to Pfsaha
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Bordetella Alcaligenes Hdah Bound to Pfsaha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F373
b:23.6
occ:0.70
|
F1
|
A:7H1373
|
0.0
|
23.6
|
0.7
|
|
C1
|
A:7H1373
|
1.3
|
18.8
|
0.7
|
|
F
|
A:7H1373
|
2.1
|
20.6
|
0.7
|
|
C2
|
A:7H1373
|
2.3
|
20.9
|
0.7
|
|
C
|
A:7H1373
|
2.4
|
17.0
|
0.7
|
|
F2
|
A:7H1373
|
2.7
|
22.1
|
0.7
|
|
F4
|
A:7H1373
|
2.8
|
22.4
|
0.7
|
|
OH
|
A:TYR312
|
2.8
|
15.6
|
1.0
|
|
O1
|
A:7H1373
|
2.9
|
15.0
|
0.7
|
|
C3
|
A:7H1373
|
2.9
|
20.7
|
0.7
|
|
F7
|
A:7H1373
|
3.1
|
23.7
|
0.7
|
|
CD2
|
A:PHE152
|
3.3
|
17.9
|
0.5
|
|
O
|
A:HOH2414
|
3.3
|
33.2
|
1.0
|
|
CE2
|
A:PHE152
|
3.4
|
18.8
|
0.5
|
|
N
|
A:7H1373
|
3.4
|
14.3
|
0.7
|
|
F3
|
A:7H1373
|
3.4
|
23.2
|
0.7
|
|
CZ
|
A:TYR312
|
3.5
|
12.1
|
1.0
|
|
C4
|
A:7H1373
|
3.6
|
21.1
|
0.7
|
|
O
|
A:HOH2276
|
3.7
|
36.3
|
1.0
|
|
CD2
|
A:PHE152
|
3.8
|
13.5
|
0.5
|
|
CE2
|
A:TYR312
|
4.0
|
11.6
|
1.0
|
|
F6
|
A:7H1373
|
4.1
|
22.0
|
0.7
|
|
CE2
|
A:PHE152
|
4.1
|
14.3
|
0.5
|
|
F5
|
A:7H1373
|
4.1
|
24.6
|
0.7
|
|
CE1
|
A:TYR312
|
4.2
|
12.4
|
1.0
|
|
O
|
A:GLY151
|
4.3
|
13.9
|
1.0
|
|
CD1
|
A:LEU275
|
4.5
|
10.9
|
1.0
|
|
CG
|
A:PHE152
|
4.5
|
18.2
|
0.5
|
|
O
|
A:7H1373
|
4.6
|
13.5
|
0.7
|
|
CZ
|
A:PHE152
|
4.7
|
19.5
|
0.5
|
|
CG
|
A:PHE152
|
4.9
|
14.8
|
0.5
|
|
C5
|
A:7H1373
|
5.0
|
23.9
|
0.7
|
|
C
|
A:GLY151
|
5.0
|
14.6
|
1.0
|
|
ZN
|
A:ZN370
|
5.0
|
10.9
|
0.5
|
|
Fluorine binding site 3 out
of 24 in 5g1a
Go back to
Fluorine Binding Sites List in 5g1a
Fluorine binding site 3 out
of 24 in the Bordetella Alcaligenes Hdah Bound to Pfsaha
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Bordetella Alcaligenes Hdah Bound to Pfsaha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F373
b:22.1
occ:0.70
|
F2
|
A:7H1373
|
0.0
|
22.1
|
0.7
|
|
C2
|
A:7H1373
|
1.3
|
20.9
|
0.7
|
|
F3
|
A:7H1373
|
2.1
|
23.2
|
0.7
|
|
C1
|
A:7H1373
|
2.3
|
18.8
|
0.7
|
|
C3
|
A:7H1373
|
2.3
|
20.7
|
0.7
|
|
F4
|
A:7H1373
|
2.6
|
22.4
|
0.7
|
|
F5
|
A:7H1373
|
2.6
|
24.6
|
0.7
|
|
F1
|
A:7H1373
|
2.7
|
23.6
|
0.7
|
|
C
|
A:7H1373
|
2.8
|
17.0
|
0.7
|
|
CE1
|
A:HIS182
|
3.0
|
10.2
|
1.0
|
|
NE2
|
A:HIS182
|
3.3
|
10.2
|
1.0
|
|
O1
|
A:7H1373
|
3.4
|
15.0
|
0.7
|
|
F
|
A:7H1373
|
3.4
|
20.6
|
0.7
|
|
ND1
|
A:HIS182
|
3.5
|
9.8
|
1.0
|
|
N
|
A:7H1373
|
3.6
|
14.3
|
0.7
|
|
CD1
|
A:LEU275
|
3.7
|
10.9
|
1.0
|
|
C4
|
A:7H1373
|
3.7
|
21.1
|
0.7
|
|
CD2
|
A:HIS182
|
3.9
|
9.6
|
1.0
|
|
CG
|
A:HIS182
|
4.0
|
8.8
|
1.0
|
|
F6
|
A:7H1373
|
4.1
|
22.0
|
0.7
|
|
CB
|
A:LEU275
|
4.1
|
8.6
|
1.0
|
|
CD2
|
A:LEU275
|
4.2
|
10.7
|
1.0
|
|
F7
|
A:7H1373
|
4.2
|
23.7
|
0.7
|
|
CG
|
A:LEU275
|
4.2
|
10.5
|
1.0
|
|
CE2
|
A:TYR312
|
4.2
|
11.6
|
1.0
|
|
OH
|
A:TYR312
|
4.5
|
15.6
|
1.0
|
|
ZN
|
A:ZN370
|
4.6
|
10.9
|
0.5
|
|
CZ
|
A:TYR312
|
4.6
|
12.1
|
1.0
|
|
O
|
A:7H1373
|
4.7
|
13.5
|
0.7
|
|
O
|
A:LEU275
|
4.8
|
9.7
|
1.0
|
|
C5
|
A:7H1373
|
4.8
|
23.9
|
0.7
|
|
F8
|
A:7H1373
|
4.9
|
26.2
|
0.7
|
|
CB
|
A:PHE208
|
5.0
|
11.9
|
1.0
|
|
Fluorine binding site 4 out
of 24 in 5g1a
Go back to
Fluorine Binding Sites List in 5g1a
Fluorine binding site 4 out
of 24 in the Bordetella Alcaligenes Hdah Bound to Pfsaha
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Bordetella Alcaligenes Hdah Bound to Pfsaha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F373
b:23.2
occ:0.70
|
F3
|
A:7H1373
|
0.0
|
23.2
|
0.7
|
|
C2
|
A:7H1373
|
1.3
|
20.9
|
0.7
|
|
F2
|
A:7H1373
|
2.1
|
22.1
|
0.7
|
|
C1
|
A:7H1373
|
2.3
|
18.8
|
0.7
|
|
C3
|
A:7H1373
|
2.3
|
20.7
|
0.7
|
|
F
|
A:7H1373
|
2.6
|
20.6
|
0.7
|
|
F5
|
A:7H1373
|
2.6
|
24.6
|
0.7
|
|
F6
|
A:7H1373
|
2.7
|
22.0
|
0.7
|
|
N
|
A:7H1373
|
2.8
|
14.3
|
0.7
|
|
C
|
A:7H1373
|
2.8
|
17.0
|
0.7
|
|
C4
|
A:7H1373
|
3.1
|
21.1
|
0.7
|
|
CD2
|
A:PHE208
|
3.3
|
15.1
|
1.0
|
|
F1
|
A:7H1373
|
3.4
|
23.6
|
0.7
|
|
F4
|
A:7H1373
|
3.4
|
22.4
|
0.7
|
|
CG
|
A:HIS182
|
3.5
|
8.8
|
1.0
|
|
CB
|
A:PHE208
|
3.5
|
11.9
|
1.0
|
|
CG
|
A:PHE208
|
3.5
|
14.7
|
1.0
|
|
ND1
|
A:HIS182
|
3.6
|
9.8
|
1.0
|
|
CD2
|
A:HIS182
|
3.6
|
9.6
|
1.0
|
|
NE2
|
A:HIS143
|
3.6
|
17.1
|
1.0
|
|
NE2
|
A:HIS182
|
3.7
|
10.2
|
1.0
|
|
CE1
|
A:HIS182
|
3.8
|
10.2
|
1.0
|
|
F7
|
A:7H1373
|
3.8
|
23.7
|
0.7
|
|
O1
|
A:7H1373
|
3.9
|
15.0
|
0.7
|
|
O
|
A:7H1373
|
4.0
|
13.5
|
0.7
|
|
CB
|
A:HIS182
|
4.1
|
8.1
|
1.0
|
|
CE2
|
A:PHE208
|
4.2
|
16.0
|
1.0
|
|
F9
|
A:7H1373
|
4.2
|
27.3
|
0.7
|
|
C5
|
A:7H1373
|
4.3
|
23.9
|
0.7
|
|
CD2
|
A:HIS143
|
4.3
|
15.4
|
1.0
|
|
CE1
|
A:HIS143
|
4.5
|
15.4
|
1.0
|
|
CD1
|
A:PHE208
|
4.5
|
15.8
|
1.0
|
|
ZN
|
A:ZN370
|
4.7
|
10.9
|
0.5
|
|
CA
|
A:PHE208
|
4.9
|
10.8
|
1.0
|
|
F8
|
A:7H1373
|
4.9
|
26.2
|
0.7
|
|
Fluorine binding site 5 out
of 24 in 5g1a
Go back to
Fluorine Binding Sites List in 5g1a
Fluorine binding site 5 out
of 24 in the Bordetella Alcaligenes Hdah Bound to Pfsaha
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Bordetella Alcaligenes Hdah Bound to Pfsaha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F373
b:22.4
occ:0.70
|
F4
|
A:7H1373
|
0.0
|
22.4
|
0.7
|
|
C3
|
A:7H1373
|
1.3
|
20.7
|
0.7
|
|
F5
|
A:7H1373
|
2.1
|
24.6
|
0.7
|
|
C2
|
A:7H1373
|
2.3
|
20.9
|
0.7
|
|
C4
|
A:7H1373
|
2.3
|
21.1
|
0.7
|
|
F2
|
A:7H1373
|
2.6
|
22.1
|
0.7
|
|
F7
|
A:7H1373
|
2.6
|
23.7
|
0.7
|
|
F8
|
A:7H1373
|
2.7
|
26.2
|
0.7
|
|
F1
|
A:7H1373
|
2.8
|
23.6
|
0.7
|
|
C1
|
A:7H1373
|
3.0
|
18.8
|
0.7
|
|
C5
|
A:7H1373
|
3.1
|
23.9
|
0.7
|
|
CE2
|
A:PHE152
|
3.4
|
18.8
|
0.5
|
|
F3
|
A:7H1373
|
3.4
|
23.2
|
0.7
|
|
F6
|
A:7H1373
|
3.5
|
22.0
|
0.7
|
|
CD1
|
A:LEU21
|
3.6
|
16.9
|
1.0
|
|
F
|
A:7H1373
|
3.6
|
20.6
|
0.7
|
|
CD1
|
A:LEU275
|
3.8
|
10.9
|
1.0
|
|
F9
|
A:7H1373
|
3.8
|
27.3
|
0.7
|
|
CE2
|
A:PHE152
|
3.9
|
14.3
|
0.5
|
|
CZ
|
A:PHE152
|
4.1
|
19.5
|
0.5
|
|
CD2
|
A:LEU275
|
4.2
|
10.7
|
1.0
|
|
CD2
|
A:PHE152
|
4.2
|
17.9
|
0.5
|
|
C6
|
A:7H1373
|
4.3
|
24.6
|
0.7
|
|
F11
|
A:7H1373
|
4.4
|
28.2
|
0.7
|
|
C
|
A:7H1373
|
4.4
|
17.0
|
0.7
|
|
CD2
|
A:PHE152
|
4.4
|
13.5
|
0.5
|
|
CG
|
A:LEU275
|
4.6
|
10.5
|
1.0
|
|
CG
|
A:LEU21
|
4.7
|
15.7
|
1.0
|
|
CZ
|
A:PHE152
|
4.9
|
15.4
|
0.5
|
|
CD2
|
A:LEU21
|
4.9
|
16.7
|
1.0
|
|
F10
|
A:7H1373
|
4.9
|
29.4
|
0.7
|
|
Fluorine binding site 6 out
of 24 in 5g1a
Go back to
Fluorine Binding Sites List in 5g1a
Fluorine binding site 6 out
of 24 in the Bordetella Alcaligenes Hdah Bound to Pfsaha
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Bordetella Alcaligenes Hdah Bound to Pfsaha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F373
b:24.6
occ:0.70
|
F5
|
A:7H1373
|
0.0
|
24.6
|
0.7
|
|
C3
|
A:7H1373
|
1.3
|
20.7
|
0.7
|
|
F4
|
A:7H1373
|
2.1
|
22.4
|
0.7
|
|
C2
|
A:7H1373
|
2.3
|
20.9
|
0.7
|
|
C4
|
A:7H1373
|
2.3
|
21.1
|
0.7
|
|
F2
|
A:7H1373
|
2.6
|
22.1
|
0.7
|
|
F3
|
A:7H1373
|
2.6
|
23.2
|
0.7
|
|
F9
|
A:7H1373
|
2.6
|
27.3
|
0.7
|
|
C5
|
A:7H1373
|
2.7
|
23.9
|
0.7
|
|
F8
|
A:7H1373
|
2.8
|
26.2
|
0.7
|
|
F6
|
A:7H1373
|
2.9
|
22.0
|
0.7
|
|
F7
|
A:7H1373
|
3.4
|
23.7
|
0.7
|
|
C1
|
A:7H1373
|
3.7
|
18.8
|
0.7
|
|
CG
|
A:PHE208
|
3.9
|
14.7
|
1.0
|
|
CB
|
A:PHE208
|
4.1
|
11.9
|
1.0
|
|
F1
|
A:7H1373
|
4.1
|
23.6
|
0.7
|
|
F
|
A:7H1373
|
4.1
|
20.6
|
0.7
|
|
CD1
|
A:PHE208
|
4.2
|
15.8
|
1.0
|
|
C6
|
A:7H1373
|
4.3
|
24.6
|
0.7
|
|
CD2
|
A:LEU275
|
4.3
|
10.7
|
1.0
|
|
CD2
|
A:PHE208
|
4.4
|
15.1
|
1.0
|
|
NE2
|
A:HIS182
|
4.8
|
10.2
|
1.0
|
|
CE1
|
A:PHE208
|
4.8
|
17.3
|
1.0
|
|
F10
|
A:7H1373
|
4.8
|
29.4
|
0.7
|
|
C
|
A:7H1373
|
4.9
|
17.0
|
0.7
|
|
CD1
|
A:LEU275
|
4.9
|
10.9
|
1.0
|
|
O2
|
A:7H1373
|
4.9
|
28.7
|
0.7
|
|
CD1
|
A:LEU21
|
4.9
|
16.9
|
1.0
|
|
F11
|
A:7H1373
|
4.9
|
28.2
|
0.7
|
|
CE2
|
A:PHE208
|
5.0
|
16.0
|
1.0
|
|
Fluorine binding site 7 out
of 24 in 5g1a
Go back to
Fluorine Binding Sites List in 5g1a
Fluorine binding site 7 out
of 24 in the Bordetella Alcaligenes Hdah Bound to Pfsaha
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Bordetella Alcaligenes Hdah Bound to Pfsaha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F373
b:22.0
occ:0.70
|
F6
|
A:7H1373
|
0.0
|
22.0
|
0.7
|
|
C4
|
A:7H1373
|
1.3
|
21.1
|
0.7
|
|
F7
|
A:7H1373
|
2.1
|
23.7
|
0.7
|
|
C5
|
A:7H1373
|
2.3
|
23.9
|
0.7
|
|
C3
|
A:7H1373
|
2.4
|
20.7
|
0.7
|
|
F9
|
A:7H1373
|
2.5
|
27.3
|
0.7
|
|
F10
|
A:7H1373
|
2.7
|
29.4
|
0.7
|
|
F3
|
A:7H1373
|
2.7
|
23.2
|
0.7
|
|
F
|
A:7H1373
|
2.8
|
20.6
|
0.7
|
|
CE2
|
A:PHE208
|
2.8
|
16.0
|
1.0
|
|
C2
|
A:7H1373
|
2.9
|
20.9
|
0.7
|
|
CD2
|
A:PHE208
|
2.9
|
15.1
|
1.0
|
|
F5
|
A:7H1373
|
2.9
|
24.6
|
0.7
|
|
C6
|
A:7H1373
|
3.0
|
24.6
|
0.7
|
|
CZ
|
A:PHE208
|
3.3
|
13.8
|
1.0
|
|
C1
|
A:7H1373
|
3.4
|
18.8
|
0.7
|
|
F8
|
A:7H1373
|
3.4
|
26.2
|
0.7
|
|
CG
|
A:PHE208
|
3.4
|
14.7
|
1.0
|
|
F4
|
A:7H1373
|
3.5
|
22.4
|
0.7
|
|
CA
|
A:GLY151
|
3.6
|
15.9
|
1.0
|
|
CE1
|
A:PHE208
|
3.7
|
17.3
|
1.0
|
|
CD1
|
A:PHE208
|
3.8
|
15.8
|
1.0
|
|
F11
|
A:7H1373
|
3.8
|
28.2
|
0.7
|
|
F1
|
A:7H1373
|
4.1
|
23.6
|
0.7
|
|
C7
|
A:7H1373
|
4.1
|
24.6
|
0.7
|
|
F2
|
A:7H1373
|
4.1
|
22.1
|
0.7
|
|
CD2
|
A:HIS143
|
4.3
|
15.4
|
1.0
|
|
NE2
|
A:HIS143
|
4.3
|
17.1
|
1.0
|
|
CB
|
A:PHE208
|
4.4
|
11.9
|
1.0
|
|
C
|
A:GLY151
|
4.4
|
14.6
|
1.0
|
|
O
|
A:GLY151
|
4.5
|
13.9
|
1.0
|
|
N
|
A:7H1373
|
4.6
|
14.3
|
0.7
|
|
C
|
A:7H1373
|
4.6
|
17.0
|
0.7
|
|
O2
|
A:7H1373
|
4.7
|
28.7
|
0.7
|
|
N
|
A:GLY151
|
4.7
|
16.2
|
1.0
|
|
N1
|
A:7H1373
|
4.7
|
22.9
|
0.7
|
|
Fluorine binding site 8 out
of 24 in 5g1a
Go back to
Fluorine Binding Sites List in 5g1a
Fluorine binding site 8 out
of 24 in the Bordetella Alcaligenes Hdah Bound to Pfsaha
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Bordetella Alcaligenes Hdah Bound to Pfsaha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F373
b:23.7
occ:0.70
|
F7
|
A:7H1373
|
0.0
|
23.7
|
0.7
|
|
C4
|
A:7H1373
|
1.3
|
21.1
|
0.7
|
|
F6
|
A:7H1373
|
2.1
|
22.0
|
0.7
|
|
C5
|
A:7H1373
|
2.3
|
23.9
|
0.7
|
|
C3
|
A:7H1373
|
2.3
|
20.7
|
0.7
|
|
F4
|
A:7H1373
|
2.6
|
22.4
|
0.7
|
|
F
|
A:7H1373
|
2.7
|
20.6
|
0.7
|
|
C6
|
A:7H1373
|
2.8
|
24.6
|
0.7
|
|
F10
|
A:7H1373
|
2.8
|
29.4
|
0.7
|
|
F11
|
A:7H1373
|
2.8
|
28.2
|
0.7
|
|
F8
|
A:7H1373
|
2.9
|
26.2
|
0.7
|
|
CE2
|
A:PHE152
|
2.9
|
18.8
|
0.5
|
|
F1
|
A:7H1373
|
3.1
|
23.6
|
0.7
|
|
C2
|
A:7H1373
|
3.1
|
20.9
|
0.7
|
|
C1
|
A:7H1373
|
3.2
|
18.8
|
0.7
|
|
CE2
|
A:PHE152
|
3.2
|
14.3
|
0.5
|
|
CD2
|
A:PHE152
|
3.2
|
17.9
|
0.5
|
|
CD2
|
A:PHE152
|
3.3
|
13.5
|
0.5
|
|
F9
|
A:7H1373
|
3.4
|
27.3
|
0.7
|
|
CZ
|
A:PHE152
|
3.4
|
19.5
|
0.5
|
|
F5
|
A:7H1373
|
3.4
|
24.6
|
0.7
|
|
CA
|
A:GLY151
|
3.5
|
15.9
|
1.0
|
|
C
|
A:GLY151
|
3.7
|
14.6
|
1.0
|
|
F3
|
A:7H1373
|
3.8
|
23.2
|
0.7
|
|
O
|
A:GLY151
|
3.9
|
13.9
|
1.0
|
|
CG
|
A:PHE152
|
3.9
|
18.2
|
0.5
|
|
CZ
|
A:PHE152
|
4.0
|
15.4
|
0.5
|
|
CE1
|
A:PHE152
|
4.1
|
20.9
|
0.5
|
|
CG
|
A:PHE152
|
4.1
|
14.8
|
0.5
|
|
F2
|
A:7H1373
|
4.2
|
22.1
|
0.7
|
|
CD1
|
A:PHE152
|
4.3
|
20.2
|
0.5
|
|
C7
|
A:7H1373
|
4.3
|
24.6
|
0.7
|
|
N
|
A:PHE152
|
4.4
|
14.6
|
0.5
|
|
N
|
A:PHE152
|
4.4
|
14.2
|
0.5
|
|
C
|
A:7H1373
|
4.6
|
17.0
|
0.7
|
|
N
|
A:GLY151
|
4.8
|
16.2
|
1.0
|
|
CE1
|
A:PHE152
|
4.8
|
16.2
|
0.5
|
|
CE2
|
A:PHE208
|
4.8
|
16.0
|
1.0
|
|
CD1
|
A:PHE152
|
4.8
|
16.3
|
0.5
|
|
O2
|
A:7H1373
|
4.8
|
28.7
|
0.7
|
|
CB
|
A:PHE152
|
4.9
|
16.8
|
0.5
|
|
CB
|
A:PHE152
|
4.9
|
14.7
|
0.5
|
|
CD1
|
A:LEU21
|
5.0
|
16.9
|
1.0
|
|
Fluorine binding site 9 out
of 24 in 5g1a
Go back to
Fluorine Binding Sites List in 5g1a
Fluorine binding site 9 out
of 24 in the Bordetella Alcaligenes Hdah Bound to Pfsaha
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Bordetella Alcaligenes Hdah Bound to Pfsaha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F373
b:26.2
occ:0.70
|
F8
|
A:7H1373
|
0.0
|
26.2
|
0.7
|
|
C5
|
A:7H1373
|
1.3
|
23.9
|
0.7
|
|
F9
|
A:7H1373
|
2.1
|
27.3
|
0.7
|
|
C6
|
A:7H1373
|
2.3
|
24.6
|
0.7
|
|
C4
|
A:7H1373
|
2.3
|
21.1
|
0.7
|
|
F11
|
A:7H1373
|
2.6
|
28.2
|
0.7
|
|
F4
|
A:7H1373
|
2.7
|
22.4
|
0.7
|
|
O2
|
A:7H1373
|
2.7
|
28.7
|
0.7
|
|
C3
|
A:7H1373
|
2.8
|
20.7
|
0.7
|
|
F5
|
A:7H1373
|
2.8
|
24.6
|
0.7
|
|
F7
|
A:7H1373
|
2.9
|
23.7
|
0.7
|
|
C7
|
A:7H1373
|
3.0
|
24.6
|
0.7
|
|
F6
|
A:7H1373
|
3.4
|
22.0
|
0.7
|
|
F10
|
A:7H1373
|
3.5
|
29.4
|
0.7
|
|
CD1
|
A:LEU21
|
3.5
|
16.9
|
1.0
|
|
CG
|
A:LEU21
|
3.7
|
15.7
|
1.0
|
|
CD2
|
A:LEU21
|
3.9
|
16.7
|
1.0
|
|
CZ
|
A:PHE152
|
4.2
|
19.5
|
0.5
|
|
C2
|
A:7H1373
|
4.3
|
20.9
|
0.7
|
|
N1
|
A:7H1373
|
4.3
|
22.9
|
0.7
|
|
CE2
|
A:PHE152
|
4.3
|
18.8
|
0.5
|
|
CE2
|
A:PHE152
|
4.4
|
14.3
|
0.5
|
|
CZ
|
A:PHE152
|
4.6
|
15.4
|
0.5
|
|
CD1
|
A:ILE100
|
4.7
|
25.9
|
1.0
|
|
F3
|
A:7H1373
|
4.9
|
23.2
|
0.7
|
|
F2
|
A:7H1373
|
4.9
|
22.1
|
0.7
|
|
Fluorine binding site 10 out
of 24 in 5g1a
Go back to
Fluorine Binding Sites List in 5g1a
Fluorine binding site 10 out
of 24 in the Bordetella Alcaligenes Hdah Bound to Pfsaha
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Bordetella Alcaligenes Hdah Bound to Pfsaha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F373
b:27.3
occ:0.70
|
F9
|
A:7H1373
|
0.0
|
27.3
|
0.7
|
|
C5
|
A:7H1373
|
1.3
|
23.9
|
0.7
|
|
F8
|
A:7H1373
|
2.1
|
26.2
|
0.7
|
|
C4
|
A:7H1373
|
2.3
|
21.1
|
0.7
|
|
C6
|
A:7H1373
|
2.3
|
24.6
|
0.7
|
|
F6
|
A:7H1373
|
2.5
|
22.0
|
0.7
|
|
C7
|
A:7H1373
|
2.6
|
24.6
|
0.7
|
|
O2
|
A:7H1373
|
2.6
|
28.7
|
0.7
|
|
F5
|
A:7H1373
|
2.6
|
24.6
|
0.7
|
|
F10
|
A:7H1373
|
2.9
|
29.4
|
0.7
|
|
CE1
|
A:PHE208
|
3.0
|
17.3
|
1.0
|
|
C3
|
A:7H1373
|
3.0
|
20.7
|
0.7
|
|
CD1
|
A:PHE208
|
3.1
|
15.8
|
1.0
|
|
CZ
|
A:PHE208
|
3.4
|
13.8
|
1.0
|
|
F7
|
A:7H1373
|
3.4
|
23.7
|
0.7
|
|
F11
|
A:7H1373
|
3.4
|
28.2
|
0.7
|
|
N1
|
A:7H1373
|
3.6
|
22.9
|
0.7
|
|
CG
|
A:PHE208
|
3.6
|
14.7
|
1.0
|
|
F4
|
A:7H1373
|
3.8
|
22.4
|
0.7
|
|
CE2
|
A:PHE208
|
3.9
|
16.0
|
1.0
|
|
CD2
|
A:PHE208
|
4.0
|
15.1
|
1.0
|
|
F3
|
A:7H1373
|
4.2
|
23.2
|
0.7
|
|
C2
|
A:7H1373
|
4.3
|
20.9
|
0.7
|
|
CB
|
A:PHE208
|
4.5
|
11.9
|
1.0
|
|
C8
|
A:7H1373
|
4.5
|
25.1
|
0.7
|
|
C13
|
A:7H1373
|
4.8
|
27.8
|
0.7
|
|
Reference:
C.Meyners,
A.Kramer,
O.Yildiz,
F.J.Meyer-Almes.
The Thermodynamic Signature of Ligand Binding to Histone Deacetylase-Like Amidohydrolases Is Most Sensitive to the Flexibility in the L2-Loop Lining the Active Site Pocket. Biochim. Biophys. Acta V.1861 1855 2017.
ISSN: ISSN 0006-3002
PubMed: 28389333
DOI: 10.1016/J.BBAGEN.2017.04.001
Page generated: Thu Aug 1 09:32:21 2024
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