Fluorine in PDB 8bhs: Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
Other elements in 8bhs:
The structure of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
(pdb code 8bhs). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the
Gaba-A Receptor A5 Homomer - A5V3 - RO4938581, PDB code: 8bhs:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Fluorine binding site 1 out
of 10 in 8bhs
Go back to
Fluorine Binding Sites List in 8bhs
Fluorine binding site 1 out
of 10 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:129.0
occ:1.00
|
F
|
A:QK9502
|
0.0
|
129.0
|
1.0
|
|
C12
|
A:QK9502
|
1.3
|
126.0
|
1.0
|
|
H7
|
A:QK9502
|
2.0
|
123.8
|
1.0
|
|
F1
|
A:QK9502
|
2.2
|
127.0
|
1.0
|
|
C2
|
A:QK9502
|
2.4
|
123.6
|
1.0
|
|
H1
|
A:QK9502
|
2.6
|
123.0
|
1.0
|
|
HG23
|
A:THR210
|
2.6
|
116.7
|
1.0
|
|
C1
|
A:QK9502
|
3.0
|
120.6
|
1.0
|
|
HG
|
A:SER209
|
3.0
|
128.3
|
1.0
|
|
HG21
|
A:THR210
|
3.0
|
116.7
|
1.0
|
|
OG
|
A:SER209
|
3.1
|
129.7
|
1.0
|
|
C
|
A:QK9502
|
3.2
|
117.1
|
1.0
|
|
CG2
|
A:THR210
|
3.2
|
113.4
|
1.0
|
|
N
|
A:QK9502
|
3.5
|
122.9
|
1.0
|
|
HG22
|
A:THR210
|
3.7
|
116.7
|
1.0
|
|
H
|
A:QK9502
|
3.8
|
122.8
|
1.0
|
|
HB2
|
E:ALA70
|
4.1
|
75.5
|
1.0
|
|
HG1
|
A:THR210
|
4.2
|
117.7
|
1.0
|
|
N1
|
A:QK9502
|
4.2
|
120.2
|
1.0
|
|
N4
|
A:QK9502
|
4.3
|
117.0
|
1.0
|
|
HG1
|
E:THR133
|
4.4
|
80.0
|
1.0
|
|
OG1
|
A:THR210
|
4.4
|
122.0
|
1.0
|
|
C3
|
A:QK9502
|
4.4
|
121.1
|
1.0
|
|
CB
|
A:THR210
|
4.4
|
116.2
|
1.0
|
|
OD2
|
E:ASP47
|
4.5
|
113.7
|
1.0
|
|
CB
|
A:SER209
|
4.5
|
128.9
|
1.0
|
|
H
|
A:THR210
|
4.6
|
117.6
|
1.0
|
|
H
|
A:SER209
|
4.8
|
127.7
|
1.0
|
|
N
|
A:THR210
|
4.8
|
120.0
|
1.0
|
|
N3
|
A:QK9502
|
4.8
|
125.1
|
1.0
|
|
CB
|
E:ALA70
|
4.9
|
64.1
|
1.0
|
|
HB2
|
A:SER209
|
4.9
|
128.4
|
1.0
|
|
HB
|
E:THR133
|
4.9
|
79.8
|
1.0
|
|
HB3
|
E:PHE68
|
4.9
|
84.8
|
1.0
|
|
HB3
|
E:ALA70
|
4.9
|
76.7
|
1.0
|
|
HB1
|
E:ALA70
|
5.0
|
75.8
|
1.0
|
|
HB
|
A:THR208
|
5.0
|
116.9
|
1.0
|
|
Fluorine binding site 2 out
of 10 in 8bhs
Go back to
Fluorine Binding Sites List in 8bhs
Fluorine binding site 2 out
of 10 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F502
b:127.0
occ:1.00
|
F1
|
A:QK9502
|
0.0
|
127.0
|
1.0
|
|
C12
|
A:QK9502
|
1.3
|
126.0
|
1.0
|
|
H7
|
A:QK9502
|
2.0
|
123.8
|
1.0
|
|
F
|
A:QK9502
|
2.2
|
129.0
|
1.0
|
|
C2
|
A:QK9502
|
2.4
|
123.6
|
1.0
|
|
C1
|
A:QK9502
|
3.2
|
120.6
|
1.0
|
|
O
|
E:PHE68
|
3.2
|
85.5
|
1.0
|
|
H1
|
A:QK9502
|
3.2
|
123.0
|
1.0
|
|
HB3
|
E:PHE68
|
3.2
|
84.8
|
1.0
|
|
HB2
|
E:PHE68
|
3.3
|
85.8
|
1.0
|
|
N
|
A:QK9502
|
3.3
|
122.9
|
1.0
|
|
HB3
|
E:TYR49
|
3.5
|
90.3
|
1.0
|
|
HB2
|
E:TYR49
|
3.6
|
90.5
|
1.0
|
|
C
|
A:QK9502
|
3.6
|
117.1
|
1.0
|
|
CB
|
E:PHE68
|
3.7
|
80.9
|
1.0
|
|
HB2
|
E:ALA70
|
3.7
|
75.5
|
1.0
|
|
HG1
|
E:THR133
|
4.0
|
80.0
|
1.0
|
|
CB
|
E:TYR49
|
4.0
|
85.2
|
1.0
|
|
N4
|
A:QK9502
|
4.1
|
117.0
|
1.0
|
|
N3
|
A:QK9502
|
4.2
|
125.1
|
1.0
|
|
C
|
E:PHE68
|
4.2
|
77.0
|
1.0
|
|
HG
|
A:SER209
|
4.3
|
128.3
|
1.0
|
|
N1
|
A:QK9502
|
4.3
|
120.2
|
1.0
|
|
C3
|
A:QK9502
|
4.3
|
121.1
|
1.0
|
|
HB3
|
E:ALA70
|
4.5
|
76.7
|
1.0
|
|
CB
|
E:ALA70
|
4.5
|
64.1
|
1.0
|
|
OG1
|
E:THR133
|
4.5
|
90.2
|
1.0
|
|
H
|
E:TYR49
|
4.6
|
90.7
|
1.0
|
|
OG
|
A:SER209
|
4.6
|
129.7
|
1.0
|
|
CA
|
E:PHE68
|
4.6
|
77.9
|
1.0
|
|
H
|
A:QK9502
|
4.6
|
122.8
|
1.0
|
|
HG23
|
A:THR210
|
4.7
|
116.7
|
1.0
|
|
N
|
E:TYR49
|
4.8
|
84.4
|
1.0
|
|
OD2
|
E:ASP47
|
4.8
|
113.7
|
1.0
|
|
CG
|
E:PHE68
|
4.8
|
86.2
|
1.0
|
|
HG21
|
A:THR210
|
4.9
|
116.7
|
1.0
|
|
Fluorine binding site 3 out
of 10 in 8bhs
Go back to
Fluorine Binding Sites List in 8bhs
Fluorine binding site 3 out
of 10 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F502
b:129.0
occ:1.00
|
F
|
B:QK9502
|
0.0
|
129.0
|
1.0
|
|
C12
|
B:QK9502
|
1.3
|
126.0
|
1.0
|
|
H7
|
B:QK9502
|
2.0
|
123.8
|
1.0
|
|
F1
|
B:QK9502
|
2.2
|
127.0
|
1.0
|
|
C2
|
B:QK9502
|
2.4
|
123.6
|
1.0
|
|
H1
|
B:QK9502
|
2.6
|
123.0
|
1.0
|
|
HG23
|
B:THR210
|
2.6
|
116.7
|
1.0
|
|
C1
|
B:QK9502
|
3.0
|
120.6
|
1.0
|
|
HG
|
B:SER209
|
3.0
|
128.3
|
1.0
|
|
HG21
|
B:THR210
|
3.0
|
116.7
|
1.0
|
|
OG
|
B:SER209
|
3.1
|
129.7
|
1.0
|
|
C
|
B:QK9502
|
3.2
|
117.1
|
1.0
|
|
CG2
|
B:THR210
|
3.2
|
113.4
|
1.0
|
|
N
|
B:QK9502
|
3.5
|
122.9
|
1.0
|
|
HG22
|
B:THR210
|
3.7
|
116.7
|
1.0
|
|
H
|
B:QK9502
|
3.8
|
122.8
|
1.0
|
|
HB2
|
A:ALA70
|
4.1
|
75.5
|
1.0
|
|
HG1
|
B:THR210
|
4.2
|
117.7
|
1.0
|
|
N1
|
B:QK9502
|
4.2
|
120.2
|
1.0
|
|
N4
|
B:QK9502
|
4.3
|
117.0
|
1.0
|
|
HG1
|
A:THR133
|
4.4
|
80.0
|
1.0
|
|
OG1
|
B:THR210
|
4.4
|
122.0
|
1.0
|
|
C3
|
B:QK9502
|
4.4
|
121.1
|
1.0
|
|
CB
|
B:THR210
|
4.4
|
116.2
|
1.0
|
|
OD2
|
A:ASP47
|
4.5
|
113.7
|
1.0
|
|
CB
|
B:SER209
|
4.5
|
128.9
|
1.0
|
|
H
|
B:THR210
|
4.6
|
117.6
|
1.0
|
|
H
|
B:SER209
|
4.8
|
127.7
|
1.0
|
|
N
|
B:THR210
|
4.8
|
120.0
|
1.0
|
|
N3
|
B:QK9502
|
4.8
|
125.1
|
1.0
|
|
CB
|
A:ALA70
|
4.9
|
64.1
|
1.0
|
|
HB
|
A:THR133
|
4.9
|
79.8
|
1.0
|
|
HB2
|
B:SER209
|
4.9
|
128.4
|
1.0
|
|
HB3
|
A:PHE68
|
4.9
|
84.8
|
1.0
|
|
HB3
|
A:ALA70
|
4.9
|
76.7
|
1.0
|
|
HB1
|
A:ALA70
|
5.0
|
75.8
|
1.0
|
|
HB
|
B:THR208
|
5.0
|
116.9
|
1.0
|
|
Fluorine binding site 4 out
of 10 in 8bhs
Go back to
Fluorine Binding Sites List in 8bhs
Fluorine binding site 4 out
of 10 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F502
b:127.0
occ:1.00
|
F1
|
B:QK9502
|
0.0
|
127.0
|
1.0
|
|
C12
|
B:QK9502
|
1.3
|
126.0
|
1.0
|
|
H7
|
B:QK9502
|
2.0
|
123.8
|
1.0
|
|
F
|
B:QK9502
|
2.2
|
129.0
|
1.0
|
|
C2
|
B:QK9502
|
2.4
|
123.6
|
1.0
|
|
C1
|
B:QK9502
|
3.2
|
120.6
|
1.0
|
|
O
|
A:PHE68
|
3.2
|
85.5
|
1.0
|
|
H1
|
B:QK9502
|
3.2
|
123.0
|
1.0
|
|
HB3
|
A:PHE68
|
3.2
|
84.8
|
1.0
|
|
HB2
|
A:PHE68
|
3.3
|
85.8
|
1.0
|
|
N
|
B:QK9502
|
3.3
|
122.9
|
1.0
|
|
HB3
|
A:TYR49
|
3.5
|
90.3
|
1.0
|
|
HB2
|
A:TYR49
|
3.6
|
90.5
|
1.0
|
|
C
|
B:QK9502
|
3.6
|
117.1
|
1.0
|
|
HB2
|
A:ALA70
|
3.7
|
75.5
|
1.0
|
|
CB
|
A:PHE68
|
3.7
|
80.9
|
1.0
|
|
HG1
|
A:THR133
|
4.0
|
80.0
|
1.0
|
|
CB
|
A:TYR49
|
4.0
|
85.2
|
1.0
|
|
N4
|
B:QK9502
|
4.1
|
117.0
|
1.0
|
|
N3
|
B:QK9502
|
4.2
|
125.1
|
1.0
|
|
C
|
A:PHE68
|
4.2
|
77.0
|
1.0
|
|
HG
|
B:SER209
|
4.3
|
128.3
|
1.0
|
|
N1
|
B:QK9502
|
4.3
|
120.2
|
1.0
|
|
C3
|
B:QK9502
|
4.3
|
121.1
|
1.0
|
|
HB3
|
A:ALA70
|
4.5
|
76.7
|
1.0
|
|
CB
|
A:ALA70
|
4.5
|
64.1
|
1.0
|
|
OG1
|
A:THR133
|
4.5
|
90.2
|
1.0
|
|
H
|
A:TYR49
|
4.6
|
90.7
|
1.0
|
|
CA
|
A:PHE68
|
4.6
|
77.9
|
1.0
|
|
OG
|
B:SER209
|
4.6
|
129.7
|
1.0
|
|
H
|
B:QK9502
|
4.6
|
122.8
|
1.0
|
|
HG23
|
B:THR210
|
4.7
|
116.7
|
1.0
|
|
N
|
A:TYR49
|
4.8
|
84.4
|
1.0
|
|
CG
|
A:PHE68
|
4.8
|
86.2
|
1.0
|
|
OD2
|
A:ASP47
|
4.8
|
113.7
|
1.0
|
|
HG21
|
B:THR210
|
4.9
|
116.7
|
1.0
|
|
Fluorine binding site 5 out
of 10 in 8bhs
Go back to
Fluorine Binding Sites List in 8bhs
Fluorine binding site 5 out
of 10 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F502
b:129.0
occ:1.00
|
F
|
C:QK9502
|
0.0
|
129.0
|
1.0
|
|
C12
|
C:QK9502
|
1.3
|
126.0
|
1.0
|
|
H7
|
C:QK9502
|
2.0
|
123.8
|
1.0
|
|
F1
|
C:QK9502
|
2.2
|
127.0
|
1.0
|
|
C2
|
C:QK9502
|
2.4
|
123.6
|
1.0
|
|
H1
|
C:QK9502
|
2.6
|
123.0
|
1.0
|
|
HG23
|
C:THR210
|
2.6
|
116.7
|
1.0
|
|
C1
|
C:QK9502
|
3.0
|
120.6
|
1.0
|
|
HG
|
C:SER209
|
3.0
|
128.3
|
1.0
|
|
HG21
|
C:THR210
|
3.0
|
116.7
|
1.0
|
|
OG
|
C:SER209
|
3.1
|
129.7
|
1.0
|
|
C
|
C:QK9502
|
3.2
|
117.1
|
1.0
|
|
CG2
|
C:THR210
|
3.2
|
113.4
|
1.0
|
|
N
|
C:QK9502
|
3.5
|
122.9
|
1.0
|
|
HG22
|
C:THR210
|
3.7
|
116.7
|
1.0
|
|
H
|
C:QK9502
|
3.8
|
122.8
|
1.0
|
|
HB2
|
B:ALA70
|
4.1
|
75.5
|
1.0
|
|
HG1
|
C:THR210
|
4.2
|
117.7
|
1.0
|
|
N1
|
C:QK9502
|
4.2
|
120.2
|
1.0
|
|
N4
|
C:QK9502
|
4.3
|
117.0
|
1.0
|
|
HG1
|
B:THR133
|
4.4
|
80.0
|
1.0
|
|
OG1
|
C:THR210
|
4.4
|
122.0
|
1.0
|
|
C3
|
C:QK9502
|
4.4
|
121.1
|
1.0
|
|
CB
|
C:THR210
|
4.4
|
116.2
|
1.0
|
|
OD2
|
B:ASP47
|
4.5
|
113.7
|
1.0
|
|
CB
|
C:SER209
|
4.5
|
128.9
|
1.0
|
|
H
|
C:THR210
|
4.6
|
117.6
|
1.0
|
|
H
|
C:SER209
|
4.8
|
127.7
|
1.0
|
|
N
|
C:THR210
|
4.8
|
120.0
|
1.0
|
|
N3
|
C:QK9502
|
4.8
|
125.1
|
1.0
|
|
HB2
|
C:SER209
|
4.9
|
128.4
|
1.0
|
|
CB
|
B:ALA70
|
4.9
|
64.1
|
1.0
|
|
HB
|
B:THR133
|
4.9
|
79.8
|
1.0
|
|
HB3
|
B:PHE68
|
4.9
|
84.8
|
1.0
|
|
HB3
|
B:ALA70
|
4.9
|
76.7
|
1.0
|
|
HB1
|
B:ALA70
|
5.0
|
75.8
|
1.0
|
|
HB
|
C:THR208
|
5.0
|
116.9
|
1.0
|
|
Fluorine binding site 6 out
of 10 in 8bhs
Go back to
Fluorine Binding Sites List in 8bhs
Fluorine binding site 6 out
of 10 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F502
b:127.0
occ:1.00
|
F1
|
C:QK9502
|
0.0
|
127.0
|
1.0
|
|
C12
|
C:QK9502
|
1.3
|
126.0
|
1.0
|
|
H7
|
C:QK9502
|
2.0
|
123.8
|
1.0
|
|
F
|
C:QK9502
|
2.2
|
129.0
|
1.0
|
|
C2
|
C:QK9502
|
2.4
|
123.6
|
1.0
|
|
C1
|
C:QK9502
|
3.2
|
120.6
|
1.0
|
|
O
|
B:PHE68
|
3.2
|
85.5
|
1.0
|
|
H1
|
C:QK9502
|
3.2
|
123.0
|
1.0
|
|
HB3
|
B:PHE68
|
3.2
|
84.8
|
1.0
|
|
HB2
|
B:PHE68
|
3.3
|
85.8
|
1.0
|
|
N
|
C:QK9502
|
3.3
|
122.9
|
1.0
|
|
HB3
|
B:TYR49
|
3.5
|
90.3
|
1.0
|
|
HB2
|
B:TYR49
|
3.6
|
90.5
|
1.0
|
|
C
|
C:QK9502
|
3.6
|
117.1
|
1.0
|
|
HB2
|
B:ALA70
|
3.7
|
75.5
|
1.0
|
|
CB
|
B:PHE68
|
3.7
|
80.9
|
1.0
|
|
HG1
|
B:THR133
|
4.0
|
80.0
|
1.0
|
|
CB
|
B:TYR49
|
4.0
|
85.2
|
1.0
|
|
N4
|
C:QK9502
|
4.1
|
117.0
|
1.0
|
|
N3
|
C:QK9502
|
4.2
|
125.1
|
1.0
|
|
C
|
B:PHE68
|
4.2
|
77.0
|
1.0
|
|
HG
|
C:SER209
|
4.3
|
128.3
|
1.0
|
|
N1
|
C:QK9502
|
4.3
|
120.2
|
1.0
|
|
C3
|
C:QK9502
|
4.3
|
121.1
|
1.0
|
|
HB3
|
B:ALA70
|
4.5
|
76.7
|
1.0
|
|
CB
|
B:ALA70
|
4.5
|
64.1
|
1.0
|
|
OG1
|
B:THR133
|
4.5
|
90.2
|
1.0
|
|
H
|
B:TYR49
|
4.6
|
90.7
|
1.0
|
|
OG
|
C:SER209
|
4.6
|
129.7
|
1.0
|
|
CA
|
B:PHE68
|
4.6
|
77.9
|
1.0
|
|
H
|
C:QK9502
|
4.6
|
122.8
|
1.0
|
|
HG23
|
C:THR210
|
4.7
|
116.7
|
1.0
|
|
N
|
B:TYR49
|
4.8
|
84.4
|
1.0
|
|
OD2
|
B:ASP47
|
4.8
|
113.7
|
1.0
|
|
CG
|
B:PHE68
|
4.8
|
86.2
|
1.0
|
|
HG21
|
C:THR210
|
4.9
|
116.7
|
1.0
|
|
Fluorine binding site 7 out
of 10 in 8bhs
Go back to
Fluorine Binding Sites List in 8bhs
Fluorine binding site 7 out
of 10 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F502
b:129.0
occ:1.00
|
F
|
D:QK9502
|
0.0
|
129.0
|
1.0
|
|
C12
|
D:QK9502
|
1.3
|
126.0
|
1.0
|
|
H7
|
D:QK9502
|
2.0
|
123.8
|
1.0
|
|
F1
|
D:QK9502
|
2.2
|
127.0
|
1.0
|
|
C2
|
D:QK9502
|
2.4
|
123.6
|
1.0
|
|
H1
|
D:QK9502
|
2.6
|
123.0
|
1.0
|
|
HG23
|
D:THR210
|
2.6
|
116.7
|
1.0
|
|
C1
|
D:QK9502
|
3.0
|
120.6
|
1.0
|
|
HG
|
D:SER209
|
3.0
|
128.3
|
1.0
|
|
HG21
|
D:THR210
|
3.0
|
116.7
|
1.0
|
|
OG
|
D:SER209
|
3.1
|
129.7
|
1.0
|
|
C
|
D:QK9502
|
3.2
|
117.1
|
1.0
|
|
CG2
|
D:THR210
|
3.2
|
113.4
|
1.0
|
|
N
|
D:QK9502
|
3.5
|
122.9
|
1.0
|
|
HG22
|
D:THR210
|
3.7
|
116.7
|
1.0
|
|
H
|
D:QK9502
|
3.8
|
122.8
|
1.0
|
|
HB2
|
C:ALA70
|
4.1
|
75.5
|
1.0
|
|
HG1
|
D:THR210
|
4.2
|
117.7
|
1.0
|
|
N1
|
D:QK9502
|
4.2
|
120.2
|
1.0
|
|
N4
|
D:QK9502
|
4.3
|
117.0
|
1.0
|
|
HG1
|
C:THR133
|
4.4
|
80.0
|
1.0
|
|
OG1
|
D:THR210
|
4.4
|
122.0
|
1.0
|
|
C3
|
D:QK9502
|
4.4
|
121.1
|
1.0
|
|
CB
|
D:THR210
|
4.4
|
116.2
|
1.0
|
|
OD2
|
C:ASP47
|
4.5
|
113.7
|
1.0
|
|
CB
|
D:SER209
|
4.5
|
128.9
|
1.0
|
|
H
|
D:THR210
|
4.6
|
117.6
|
1.0
|
|
H
|
D:SER209
|
4.8
|
127.7
|
1.0
|
|
N
|
D:THR210
|
4.8
|
120.0
|
1.0
|
|
N3
|
D:QK9502
|
4.8
|
125.1
|
1.0
|
|
CB
|
C:ALA70
|
4.9
|
64.1
|
1.0
|
|
HB2
|
D:SER209
|
4.9
|
128.4
|
1.0
|
|
HB
|
C:THR133
|
4.9
|
79.8
|
1.0
|
|
HB3
|
C:PHE68
|
4.9
|
84.8
|
1.0
|
|
HB3
|
C:ALA70
|
4.9
|
76.7
|
1.0
|
|
HB1
|
C:ALA70
|
5.0
|
75.8
|
1.0
|
|
HB
|
D:THR208
|
5.0
|
116.9
|
1.0
|
|
Fluorine binding site 8 out
of 10 in 8bhs
Go back to
Fluorine Binding Sites List in 8bhs
Fluorine binding site 8 out
of 10 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:F502
b:127.0
occ:1.00
|
F1
|
D:QK9502
|
0.0
|
127.0
|
1.0
|
|
C12
|
D:QK9502
|
1.3
|
126.0
|
1.0
|
|
H7
|
D:QK9502
|
2.0
|
123.8
|
1.0
|
|
F
|
D:QK9502
|
2.2
|
129.0
|
1.0
|
|
C2
|
D:QK9502
|
2.4
|
123.6
|
1.0
|
|
C1
|
D:QK9502
|
3.2
|
120.6
|
1.0
|
|
O
|
C:PHE68
|
3.2
|
85.5
|
1.0
|
|
H1
|
D:QK9502
|
3.2
|
123.0
|
1.0
|
|
HB3
|
C:PHE68
|
3.2
|
84.8
|
1.0
|
|
HB2
|
C:PHE68
|
3.3
|
85.8
|
1.0
|
|
N
|
D:QK9502
|
3.3
|
122.9
|
1.0
|
|
HB3
|
C:TYR49
|
3.5
|
90.3
|
1.0
|
|
HB2
|
C:TYR49
|
3.6
|
90.5
|
1.0
|
|
C
|
D:QK9502
|
3.6
|
117.1
|
1.0
|
|
HB2
|
C:ALA70
|
3.7
|
75.5
|
1.0
|
|
CB
|
C:PHE68
|
3.7
|
80.9
|
1.0
|
|
HG1
|
C:THR133
|
4.0
|
80.0
|
1.0
|
|
CB
|
C:TYR49
|
4.0
|
85.2
|
1.0
|
|
N4
|
D:QK9502
|
4.1
|
117.0
|
1.0
|
|
N3
|
D:QK9502
|
4.2
|
125.1
|
1.0
|
|
C
|
C:PHE68
|
4.2
|
77.0
|
1.0
|
|
HG
|
D:SER209
|
4.3
|
128.3
|
1.0
|
|
N1
|
D:QK9502
|
4.3
|
120.2
|
1.0
|
|
C3
|
D:QK9502
|
4.3
|
121.1
|
1.0
|
|
HB3
|
C:ALA70
|
4.5
|
76.7
|
1.0
|
|
CB
|
C:ALA70
|
4.5
|
64.1
|
1.0
|
|
OG1
|
C:THR133
|
4.5
|
90.2
|
1.0
|
|
H
|
C:TYR49
|
4.6
|
90.7
|
1.0
|
|
OG
|
D:SER209
|
4.6
|
129.7
|
1.0
|
|
CA
|
C:PHE68
|
4.6
|
77.9
|
1.0
|
|
H
|
D:QK9502
|
4.6
|
122.8
|
1.0
|
|
HG23
|
D:THR210
|
4.7
|
116.7
|
1.0
|
|
N
|
C:TYR49
|
4.8
|
84.4
|
1.0
|
|
OD2
|
C:ASP47
|
4.8
|
113.7
|
1.0
|
|
CG
|
C:PHE68
|
4.8
|
86.2
|
1.0
|
|
HG21
|
D:THR210
|
4.9
|
116.7
|
1.0
|
|
Fluorine binding site 9 out
of 10 in 8bhs
Go back to
Fluorine Binding Sites List in 8bhs
Fluorine binding site 9 out
of 10 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F502
b:129.0
occ:1.00
|
F
|
E:QK9502
|
0.0
|
129.0
|
1.0
|
|
C12
|
E:QK9502
|
1.3
|
126.0
|
1.0
|
|
H7
|
E:QK9502
|
2.0
|
123.8
|
1.0
|
|
F1
|
E:QK9502
|
2.2
|
127.0
|
1.0
|
|
C2
|
E:QK9502
|
2.4
|
123.6
|
1.0
|
|
H1
|
E:QK9502
|
2.6
|
123.0
|
1.0
|
|
HG23
|
E:THR210
|
2.6
|
116.7
|
1.0
|
|
C1
|
E:QK9502
|
3.0
|
120.6
|
1.0
|
|
HG
|
E:SER209
|
3.0
|
128.3
|
1.0
|
|
HG21
|
E:THR210
|
3.0
|
116.7
|
1.0
|
|
OG
|
E:SER209
|
3.1
|
129.7
|
1.0
|
|
C
|
E:QK9502
|
3.2
|
117.1
|
1.0
|
|
CG2
|
E:THR210
|
3.2
|
113.4
|
1.0
|
|
N
|
E:QK9502
|
3.5
|
122.9
|
1.0
|
|
HG22
|
E:THR210
|
3.7
|
116.7
|
1.0
|
|
H
|
E:QK9502
|
3.8
|
122.8
|
1.0
|
|
HB2
|
D:ALA70
|
4.1
|
75.5
|
1.0
|
|
HG1
|
E:THR210
|
4.2
|
117.7
|
1.0
|
|
N1
|
E:QK9502
|
4.2
|
120.2
|
1.0
|
|
N4
|
E:QK9502
|
4.3
|
117.0
|
1.0
|
|
HG1
|
D:THR133
|
4.4
|
80.0
|
1.0
|
|
OG1
|
E:THR210
|
4.4
|
122.0
|
1.0
|
|
C3
|
E:QK9502
|
4.4
|
121.1
|
1.0
|
|
CB
|
E:THR210
|
4.4
|
116.2
|
1.0
|
|
OD2
|
D:ASP47
|
4.5
|
113.7
|
1.0
|
|
CB
|
E:SER209
|
4.5
|
128.9
|
1.0
|
|
H
|
E:THR210
|
4.6
|
117.6
|
1.0
|
|
H
|
E:SER209
|
4.8
|
127.7
|
1.0
|
|
N
|
E:THR210
|
4.8
|
120.0
|
1.0
|
|
N3
|
E:QK9502
|
4.8
|
125.1
|
1.0
|
|
CB
|
D:ALA70
|
4.8
|
64.1
|
1.0
|
|
HB
|
D:THR133
|
4.8
|
79.8
|
1.0
|
|
HB2
|
E:SER209
|
4.9
|
128.4
|
1.0
|
|
HB3
|
D:PHE68
|
4.9
|
84.8
|
1.0
|
|
HB3
|
D:ALA70
|
4.9
|
76.7
|
1.0
|
|
HB1
|
D:ALA70
|
5.0
|
75.8
|
1.0
|
|
HB
|
E:THR208
|
5.0
|
116.9
|
1.0
|
|
Fluorine binding site 10 out
of 10 in 8bhs
Go back to
Fluorine Binding Sites List in 8bhs
Fluorine binding site 10 out
of 10 in the Gaba-A Receptor A5 Homomer - A5V3 - RO4938581
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 10 of Gaba-A Receptor A5 Homomer - A5V3 - RO4938581 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:F502
b:127.0
occ:1.00
|
F1
|
E:QK9502
|
0.0
|
127.0
|
1.0
|
|
C12
|
E:QK9502
|
1.3
|
126.0
|
1.0
|
|
H7
|
E:QK9502
|
2.0
|
123.8
|
1.0
|
|
F
|
E:QK9502
|
2.2
|
129.0
|
1.0
|
|
C2
|
E:QK9502
|
2.4
|
123.6
|
1.0
|
|
C1
|
E:QK9502
|
3.2
|
120.6
|
1.0
|
|
O
|
D:PHE68
|
3.2
|
85.5
|
1.0
|
|
H1
|
E:QK9502
|
3.2
|
123.0
|
1.0
|
|
HB3
|
D:PHE68
|
3.2
|
84.8
|
1.0
|
|
HB2
|
D:PHE68
|
3.3
|
85.8
|
1.0
|
|
N
|
E:QK9502
|
3.3
|
122.9
|
1.0
|
|
HB3
|
D:TYR49
|
3.5
|
90.3
|
1.0
|
|
HB2
|
D:TYR49
|
3.6
|
90.5
|
1.0
|
|
C
|
E:QK9502
|
3.6
|
117.1
|
1.0
|
|
HB2
|
D:ALA70
|
3.7
|
75.5
|
1.0
|
|
CB
|
D:PHE68
|
3.7
|
80.9
|
1.0
|
|
HG1
|
D:THR133
|
4.0
|
80.0
|
1.0
|
|
CB
|
D:TYR49
|
4.0
|
85.2
|
1.0
|
|
N4
|
E:QK9502
|
4.1
|
117.0
|
1.0
|
|
N3
|
E:QK9502
|
4.2
|
125.1
|
1.0
|
|
C
|
D:PHE68
|
4.2
|
77.0
|
1.0
|
|
HG
|
E:SER209
|
4.3
|
128.3
|
1.0
|
|
N1
|
E:QK9502
|
4.3
|
120.2
|
1.0
|
|
C3
|
E:QK9502
|
4.3
|
121.1
|
1.0
|
|
HB3
|
D:ALA70
|
4.4
|
76.7
|
1.0
|
|
CB
|
D:ALA70
|
4.5
|
64.1
|
1.0
|
|
OG1
|
D:THR133
|
4.5
|
90.2
|
1.0
|
|
H
|
D:TYR49
|
4.6
|
90.7
|
1.0
|
|
CA
|
D:PHE68
|
4.6
|
77.9
|
1.0
|
|
OG
|
E:SER209
|
4.6
|
129.7
|
1.0
|
|
H
|
E:QK9502
|
4.6
|
122.8
|
1.0
|
|
HG23
|
E:THR210
|
4.7
|
116.7
|
1.0
|
|
N
|
D:TYR49
|
4.7
|
84.4
|
1.0
|
|
OD2
|
D:ASP47
|
4.8
|
113.7
|
1.0
|
|
CG
|
D:PHE68
|
4.8
|
86.2
|
1.0
|
|
HG21
|
E:THR210
|
4.9
|
116.7
|
1.0
|
|
Reference:
V.B.Kasaragod,
T.M.Malinauskas,
A.A.Wahid,
J.Lengyel,
F.Knoflach,
S.W.Hardwick,
C.F.Jones,
W.N.Chen,
X.Lucas,
K.E.Omari,
D.Y.Chirgadze,
A.R.Aricescu,
G.Cecere,
M.C.Hernandez,
P.S.Miller.
The Molecular Basis of Drug Selectivity For ALPHA5 Subunit-Containing Gabaa Receptors Nat.Struct.Mol.Biol. 2023.
ISSN: ESSN 1545-9985
DOI: 10.1038/S41594-023-01133-1
Page generated: Fri Aug 2 16:50:14 2024
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