Fluorine in PDB 8tra: Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
Other elements in 8tra:
The structure of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
(pdb code 8tra). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the
Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160, PDB code: 8tra:
Jump to Fluorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Fluorine binding site 1 out
of 9 in 8tra
Go back to
Fluorine Binding Sites List in 8tra
Fluorine binding site 1 out
of 9 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F601
b:17.8
occ:1.00
|
F02
|
A:KF0601
|
0.0
|
17.8
|
1.0
|
|
C22
|
A:KF0601
|
1.4
|
17.8
|
1.0
|
|
F04
|
A:KF0601
|
2.1
|
17.8
|
1.0
|
|
F03
|
A:KF0601
|
2.2
|
17.8
|
1.0
|
|
HZ
|
A:PHE293
|
2.4
|
11.8
|
1.0
|
|
HG
|
A:LEU95
|
2.5
|
14.7
|
1.0
|
|
C19
|
A:KF0601
|
2.5
|
17.8
|
1.0
|
|
H211
|
A:KF0601
|
2.6
|
17.8
|
1.0
|
|
HD2
|
A:PHE103
|
2.7
|
8.2
|
1.0
|
|
C21
|
A:KF0601
|
2.9
|
17.8
|
1.0
|
|
HE2
|
A:PHE103
|
2.9
|
8.2
|
1.0
|
|
CD2
|
A:PHE103
|
3.3
|
8.2
|
1.0
|
|
HD21
|
A:LEU95
|
3.3
|
14.7
|
1.0
|
|
CZ
|
A:PHE293
|
3.3
|
11.8
|
1.0
|
|
CG
|
A:LEU95
|
3.3
|
14.7
|
1.0
|
|
CE2
|
A:PHE103
|
3.4
|
8.2
|
1.0
|
|
HD11
|
A:LEU95
|
3.5
|
14.7
|
1.0
|
|
CD2
|
A:LEU95
|
3.7
|
14.7
|
1.0
|
|
HE1
|
A:PHE293
|
3.7
|
11.8
|
1.0
|
|
HD23
|
A:LEU95
|
3.7
|
14.7
|
1.0
|
|
C17
|
A:KF0601
|
3.8
|
17.8
|
1.0
|
|
CD1
|
A:LEU95
|
3.9
|
14.7
|
1.0
|
|
CE1
|
A:PHE293
|
4.0
|
11.8
|
1.0
|
|
HD12
|
A:LEU95
|
4.0
|
14.7
|
1.0
|
|
H
|
A:LEU95
|
4.1
|
14.7
|
1.0
|
|
O
|
A:TYR93
|
4.1
|
13.0
|
1.0
|
|
N
|
A:LEU95
|
4.2
|
14.7
|
1.0
|
|
HA
|
A:THR94
|
4.2
|
13.6
|
1.0
|
|
HB2
|
A:MET105
|
4.3
|
12.5
|
1.0
|
|
C
|
A:TYR93
|
4.3
|
13.0
|
1.0
|
|
C
|
A:THR94
|
4.3
|
13.6
|
1.0
|
|
C20
|
A:KF0601
|
4.4
|
17.8
|
1.0
|
|
CE2
|
A:PHE293
|
4.4
|
11.8
|
1.0
|
|
HE2
|
A:PHE293
|
4.4
|
11.8
|
1.0
|
|
HA
|
A:TYR93
|
4.4
|
13.0
|
1.0
|
|
HB3
|
A:PHE103
|
4.5
|
8.2
|
1.0
|
|
CG
|
A:PHE103
|
4.5
|
8.2
|
1.0
|
|
CL01
|
A:KF0601
|
4.5
|
17.8
|
1.0
|
|
CB
|
A:LEU95
|
4.5
|
14.7
|
1.0
|
|
N
|
A:THR94
|
4.5
|
13.6
|
1.0
|
|
CA
|
A:THR94
|
4.6
|
13.6
|
1.0
|
|
HA
|
A:LEU95
|
4.6
|
14.7
|
1.0
|
|
HD22
|
A:LEU95
|
4.6
|
14.7
|
1.0
|
|
CA
|
A:LEU95
|
4.7
|
14.7
|
1.0
|
|
CZ
|
A:PHE103
|
4.7
|
8.2
|
1.0
|
|
HD13
|
A:LEU95
|
4.8
|
14.7
|
1.0
|
|
O
|
A:THR94
|
4.8
|
13.6
|
1.0
|
|
HB2
|
A:LEU95
|
4.9
|
14.7
|
1.0
|
|
CA
|
A:TYR93
|
5.0
|
13.0
|
1.0
|
|
Fluorine binding site 2 out
of 9 in 8tra
Go back to
Fluorine Binding Sites List in 8tra
Fluorine binding site 2 out
of 9 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F601
b:17.8
occ:1.00
|
F03
|
A:KF0601
|
0.0
|
17.8
|
1.0
|
|
C22
|
A:KF0601
|
1.4
|
17.8
|
1.0
|
|
F04
|
A:KF0601
|
2.1
|
17.8
|
1.0
|
|
F02
|
A:KF0601
|
2.2
|
17.8
|
1.0
|
|
C19
|
A:KF0601
|
2.5
|
17.8
|
1.0
|
|
HE2
|
A:PHE103
|
2.6
|
8.2
|
1.0
|
|
HB2
|
A:MET105
|
2.6
|
12.5
|
1.0
|
|
HE3
|
A:MET105
|
3.0
|
12.5
|
1.0
|
|
HA
|
A:TYR93
|
3.2
|
13.0
|
1.0
|
|
C17
|
A:KF0601
|
3.2
|
17.8
|
1.0
|
|
CL01
|
A:KF0601
|
3.3
|
17.8
|
1.0
|
|
HG3
|
A:MET105
|
3.3
|
12.5
|
1.0
|
|
HE2
|
A:MET105
|
3.3
|
12.5
|
1.0
|
|
CE2
|
A:PHE103
|
3.4
|
8.2
|
1.0
|
|
CB
|
A:MET105
|
3.5
|
12.5
|
1.0
|
|
C21
|
A:KF0601
|
3.6
|
17.8
|
1.0
|
|
CE
|
A:MET105
|
3.6
|
12.5
|
1.0
|
|
HB1
|
A:ALA312
|
3.6
|
11.0
|
1.0
|
|
HZ
|
A:PHE293
|
3.7
|
11.8
|
1.0
|
|
HD2
|
A:PHE103
|
3.7
|
8.2
|
1.0
|
|
H211
|
A:KF0601
|
3.8
|
17.8
|
1.0
|
|
CG
|
A:MET105
|
3.9
|
12.5
|
1.0
|
|
HB2
|
A:ALA312
|
3.9
|
11.0
|
1.0
|
|
O
|
A:TYR93
|
3.9
|
13.0
|
1.0
|
|
HB3
|
A:MET105
|
4.0
|
12.5
|
1.0
|
|
CD2
|
A:PHE103
|
4.0
|
8.2
|
1.0
|
|
CA
|
A:TYR93
|
4.0
|
13.0
|
1.0
|
|
C
|
A:TYR93
|
4.0
|
13.0
|
1.0
|
|
CB
|
A:ALA312
|
4.1
|
11.0
|
1.0
|
|
HB3
|
A:ALA312
|
4.2
|
11.0
|
1.0
|
|
CZ
|
A:PHE293
|
4.3
|
11.8
|
1.0
|
|
H
|
A:MET105
|
4.3
|
12.5
|
1.0
|
|
HE1
|
A:MET105
|
4.4
|
12.5
|
1.0
|
|
O
|
A:ASP92
|
4.4
|
15.7
|
1.0
|
|
CZ
|
A:PHE103
|
4.5
|
8.2
|
1.0
|
|
CA
|
A:MET105
|
4.5
|
12.5
|
1.0
|
|
HE1
|
A:PHE293
|
4.5
|
11.8
|
1.0
|
|
C16
|
A:KF0601
|
4.6
|
17.8
|
1.0
|
|
HA
|
A:MET105
|
4.6
|
12.5
|
1.0
|
|
HZ
|
A:PHE103
|
4.6
|
8.2
|
1.0
|
|
SD
|
A:MET105
|
4.6
|
12.5
|
1.0
|
|
HG
|
A:LEU95
|
4.6
|
14.7
|
1.0
|
|
HB2
|
A:TYR93
|
4.6
|
13.0
|
1.0
|
|
N
|
A:MET105
|
4.7
|
12.5
|
1.0
|
|
HG2
|
A:MET105
|
4.7
|
12.5
|
1.0
|
|
N
|
A:THR94
|
4.8
|
13.6
|
1.0
|
|
CE1
|
A:PHE293
|
4.8
|
11.8
|
1.0
|
|
C20
|
A:KF0601
|
4.8
|
17.8
|
1.0
|
|
CB
|
A:TYR93
|
4.9
|
13.0
|
1.0
|
|
N
|
A:TYR93
|
4.9
|
13.0
|
1.0
|
|
Fluorine binding site 3 out
of 9 in 8tra
Go back to
Fluorine Binding Sites List in 8tra
Fluorine binding site 3 out
of 9 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:F601
b:17.8
occ:1.00
|
F04
|
A:KF0601
|
0.0
|
17.8
|
1.0
|
|
C22
|
A:KF0601
|
1.4
|
17.8
|
1.0
|
|
F03
|
A:KF0601
|
2.1
|
17.8
|
1.0
|
|
F02
|
A:KF0601
|
2.1
|
17.8
|
1.0
|
|
C19
|
A:KF0601
|
2.5
|
17.8
|
1.0
|
|
HE1
|
A:PHE293
|
2.6
|
11.8
|
1.0
|
|
HZ
|
A:PHE293
|
2.6
|
11.8
|
1.0
|
|
CE1
|
A:PHE293
|
3.0
|
11.8
|
1.0
|
|
CZ
|
A:PHE293
|
3.1
|
11.8
|
1.0
|
|
CL01
|
A:KF0601
|
3.1
|
17.8
|
1.0
|
|
C17
|
A:KF0601
|
3.2
|
17.8
|
1.0
|
|
HE2
|
A:PHE103
|
3.5
|
8.2
|
1.0
|
|
HB3
|
A:ALA312
|
3.6
|
11.0
|
1.0
|
|
HB2
|
A:TYR295
|
3.6
|
16.9
|
1.0
|
|
C21
|
A:KF0601
|
3.7
|
17.8
|
1.0
|
|
HD21
|
A:LEU95
|
3.7
|
14.7
|
1.0
|
|
HB2
|
A:ALA312
|
3.7
|
11.0
|
1.0
|
|
HB1
|
A:ALA312
|
3.9
|
11.0
|
1.0
|
|
H211
|
A:KF0601
|
3.9
|
17.8
|
1.0
|
|
CB
|
A:ALA312
|
3.9
|
11.0
|
1.0
|
|
HD2
|
A:TYR295
|
4.1
|
16.9
|
1.0
|
|
CE2
|
A:PHE103
|
4.2
|
8.2
|
1.0
|
|
HB3
|
A:TYR295
|
4.2
|
16.9
|
1.0
|
|
HG
|
A:LEU95
|
4.2
|
14.7
|
1.0
|
|
CB
|
A:TYR295
|
4.2
|
16.9
|
1.0
|
|
CD1
|
A:PHE293
|
4.2
|
11.8
|
1.0
|
|
CD2
|
A:TYR295
|
4.3
|
16.9
|
1.0
|
|
CE2
|
A:PHE293
|
4.3
|
11.8
|
1.0
|
|
HE2
|
A:MET105
|
4.3
|
12.5
|
1.0
|
|
HD2
|
A:PHE103
|
4.3
|
8.2
|
1.0
|
|
CG
|
A:TYR295
|
4.4
|
16.9
|
1.0
|
|
HD11
|
A:LEU95
|
4.4
|
14.7
|
1.0
|
|
CD2
|
A:LEU95
|
4.5
|
14.7
|
1.0
|
|
C16
|
A:KF0601
|
4.5
|
17.8
|
1.0
|
|
HD23
|
A:LEU95
|
4.6
|
14.7
|
1.0
|
|
HE3
|
A:MET105
|
4.6
|
12.5
|
1.0
|
|
HD1
|
A:PHE293
|
4.6
|
11.8
|
1.0
|
|
HB2
|
A:MET105
|
4.6
|
12.5
|
1.0
|
|
CD2
|
A:PHE103
|
4.6
|
8.2
|
1.0
|
|
HG3
|
A:MET105
|
4.7
|
12.5
|
1.0
|
|
HE2
|
A:PHE293
|
4.7
|
11.8
|
1.0
|
|
CG
|
A:LEU95
|
4.8
|
14.7
|
1.0
|
|
C20
|
A:KF0601
|
4.9
|
17.8
|
1.0
|
|
CE
|
A:MET105
|
4.9
|
12.5
|
1.0
|
|
Fluorine binding site 4 out
of 9 in 8tra
Go back to
Fluorine Binding Sites List in 8tra
Fluorine binding site 4 out
of 9 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F601
b:17.8
occ:1.00
|
F02
|
B:KF0601
|
0.0
|
17.8
|
1.0
|
|
C22
|
B:KF0601
|
1.4
|
17.8
|
1.0
|
|
F04
|
B:KF0601
|
2.1
|
17.8
|
1.0
|
|
F03
|
B:KF0601
|
2.2
|
17.8
|
1.0
|
|
HZ
|
B:PHE293
|
2.4
|
11.8
|
1.0
|
|
HG
|
B:LEU95
|
2.5
|
14.7
|
1.0
|
|
C19
|
B:KF0601
|
2.5
|
17.8
|
1.0
|
|
H211
|
B:KF0601
|
2.6
|
17.8
|
1.0
|
|
HD2
|
B:PHE103
|
2.7
|
8.2
|
1.0
|
|
C21
|
B:KF0601
|
2.9
|
17.8
|
1.0
|
|
HE2
|
B:PHE103
|
2.9
|
8.2
|
1.0
|
|
CD2
|
B:PHE103
|
3.3
|
8.2
|
1.0
|
|
HD21
|
B:LEU95
|
3.3
|
14.7
|
1.0
|
|
CZ
|
B:PHE293
|
3.3
|
11.8
|
1.0
|
|
CG
|
B:LEU95
|
3.3
|
14.7
|
1.0
|
|
CE2
|
B:PHE103
|
3.4
|
8.2
|
1.0
|
|
HD11
|
B:LEU95
|
3.5
|
14.7
|
1.0
|
|
CD2
|
B:LEU95
|
3.7
|
14.7
|
1.0
|
|
HE1
|
B:PHE293
|
3.7
|
11.8
|
1.0
|
|
HD23
|
B:LEU95
|
3.7
|
14.7
|
1.0
|
|
C17
|
B:KF0601
|
3.8
|
17.8
|
1.0
|
|
CD1
|
B:LEU95
|
3.9
|
14.7
|
1.0
|
|
CE1
|
B:PHE293
|
4.0
|
11.8
|
1.0
|
|
HD12
|
B:LEU95
|
4.0
|
14.7
|
1.0
|
|
H
|
B:LEU95
|
4.1
|
14.7
|
1.0
|
|
O
|
B:TYR93
|
4.1
|
13.0
|
1.0
|
|
N
|
B:LEU95
|
4.2
|
14.7
|
1.0
|
|
HA
|
B:THR94
|
4.2
|
13.6
|
1.0
|
|
HB2
|
B:MET105
|
4.3
|
12.5
|
1.0
|
|
C
|
B:TYR93
|
4.3
|
13.0
|
1.0
|
|
C
|
B:THR94
|
4.3
|
13.6
|
1.0
|
|
C20
|
B:KF0601
|
4.4
|
17.8
|
1.0
|
|
CE2
|
B:PHE293
|
4.4
|
11.8
|
1.0
|
|
HE2
|
B:PHE293
|
4.4
|
11.8
|
1.0
|
|
HA
|
B:TYR93
|
4.4
|
13.0
|
1.0
|
|
HB3
|
B:PHE103
|
4.5
|
8.2
|
1.0
|
|
CL01
|
B:KF0601
|
4.5
|
17.8
|
1.0
|
|
CG
|
B:PHE103
|
4.5
|
8.2
|
1.0
|
|
CB
|
B:LEU95
|
4.5
|
14.7
|
1.0
|
|
N
|
B:THR94
|
4.5
|
13.6
|
1.0
|
|
HA
|
B:LEU95
|
4.6
|
14.7
|
1.0
|
|
CA
|
B:THR94
|
4.6
|
13.6
|
1.0
|
|
HD22
|
B:LEU95
|
4.6
|
14.7
|
1.0
|
|
CA
|
B:LEU95
|
4.7
|
14.7
|
1.0
|
|
CZ
|
B:PHE103
|
4.7
|
8.2
|
1.0
|
|
HD13
|
B:LEU95
|
4.8
|
14.7
|
1.0
|
|
O
|
B:THR94
|
4.8
|
13.6
|
1.0
|
|
HB2
|
B:LEU95
|
4.9
|
14.7
|
1.0
|
|
CA
|
B:TYR93
|
5.0
|
13.0
|
1.0
|
|
Fluorine binding site 5 out
of 9 in 8tra
Go back to
Fluorine Binding Sites List in 8tra
Fluorine binding site 5 out
of 9 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 5 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F601
b:17.8
occ:1.00
|
F03
|
B:KF0601
|
0.0
|
17.8
|
1.0
|
|
C22
|
B:KF0601
|
1.4
|
17.8
|
1.0
|
|
F04
|
B:KF0601
|
2.1
|
17.8
|
1.0
|
|
F02
|
B:KF0601
|
2.2
|
17.8
|
1.0
|
|
C19
|
B:KF0601
|
2.5
|
17.8
|
1.0
|
|
HE2
|
B:PHE103
|
2.6
|
8.2
|
1.0
|
|
HB2
|
B:MET105
|
2.6
|
12.5
|
1.0
|
|
HE3
|
B:MET105
|
3.0
|
12.5
|
1.0
|
|
HA
|
B:TYR93
|
3.2
|
13.0
|
1.0
|
|
C17
|
B:KF0601
|
3.2
|
17.8
|
1.0
|
|
CL01
|
B:KF0601
|
3.3
|
17.8
|
1.0
|
|
HG3
|
B:MET105
|
3.3
|
12.5
|
1.0
|
|
HE2
|
B:MET105
|
3.3
|
12.5
|
1.0
|
|
CE2
|
B:PHE103
|
3.4
|
8.2
|
1.0
|
|
CB
|
B:MET105
|
3.5
|
12.5
|
1.0
|
|
C21
|
B:KF0601
|
3.6
|
17.8
|
1.0
|
|
CE
|
B:MET105
|
3.6
|
12.5
|
1.0
|
|
HB1
|
B:ALA312
|
3.6
|
11.0
|
1.0
|
|
HZ
|
B:PHE293
|
3.7
|
11.8
|
1.0
|
|
HD2
|
B:PHE103
|
3.7
|
8.2
|
1.0
|
|
H211
|
B:KF0601
|
3.8
|
17.8
|
1.0
|
|
CG
|
B:MET105
|
3.9
|
12.5
|
1.0
|
|
O
|
B:TYR93
|
3.9
|
13.0
|
1.0
|
|
HB2
|
B:ALA312
|
3.9
|
11.0
|
1.0
|
|
HB3
|
B:MET105
|
4.0
|
12.5
|
1.0
|
|
CA
|
B:TYR93
|
4.0
|
13.0
|
1.0
|
|
CD2
|
B:PHE103
|
4.0
|
8.2
|
1.0
|
|
C
|
B:TYR93
|
4.0
|
13.0
|
1.0
|
|
CB
|
B:ALA312
|
4.1
|
11.0
|
1.0
|
|
HB3
|
B:ALA312
|
4.2
|
11.0
|
1.0
|
|
CZ
|
B:PHE293
|
4.3
|
11.8
|
1.0
|
|
H
|
B:MET105
|
4.3
|
12.5
|
1.0
|
|
HE1
|
B:MET105
|
4.4
|
12.5
|
1.0
|
|
O
|
B:ASP92
|
4.4
|
15.7
|
1.0
|
|
CZ
|
B:PHE103
|
4.5
|
8.2
|
1.0
|
|
CA
|
B:MET105
|
4.5
|
12.5
|
1.0
|
|
HE1
|
B:PHE293
|
4.5
|
11.8
|
1.0
|
|
C16
|
B:KF0601
|
4.6
|
17.8
|
1.0
|
|
HA
|
B:MET105
|
4.6
|
12.5
|
1.0
|
|
HZ
|
B:PHE103
|
4.6
|
8.2
|
1.0
|
|
SD
|
B:MET105
|
4.6
|
12.5
|
1.0
|
|
HG
|
B:LEU95
|
4.6
|
14.7
|
1.0
|
|
HB2
|
B:TYR93
|
4.6
|
13.0
|
1.0
|
|
N
|
B:MET105
|
4.7
|
12.5
|
1.0
|
|
HG2
|
B:MET105
|
4.7
|
12.5
|
1.0
|
|
N
|
B:THR94
|
4.7
|
13.6
|
1.0
|
|
CE1
|
B:PHE293
|
4.8
|
11.8
|
1.0
|
|
C20
|
B:KF0601
|
4.8
|
17.8
|
1.0
|
|
CB
|
B:TYR93
|
4.9
|
13.0
|
1.0
|
|
N
|
B:TYR93
|
4.9
|
13.0
|
1.0
|
|
Fluorine binding site 6 out
of 9 in 8tra
Go back to
Fluorine Binding Sites List in 8tra
Fluorine binding site 6 out
of 9 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 6 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:F601
b:17.8
occ:1.00
|
F04
|
B:KF0601
|
0.0
|
17.8
|
1.0
|
|
C22
|
B:KF0601
|
1.4
|
17.8
|
1.0
|
|
F03
|
B:KF0601
|
2.1
|
17.8
|
1.0
|
|
F02
|
B:KF0601
|
2.1
|
17.8
|
1.0
|
|
C19
|
B:KF0601
|
2.5
|
17.8
|
1.0
|
|
HE1
|
B:PHE293
|
2.6
|
11.8
|
1.0
|
|
HZ
|
B:PHE293
|
2.6
|
11.8
|
1.0
|
|
CE1
|
B:PHE293
|
3.0
|
11.8
|
1.0
|
|
CZ
|
B:PHE293
|
3.1
|
11.8
|
1.0
|
|
CL01
|
B:KF0601
|
3.1
|
17.8
|
1.0
|
|
C17
|
B:KF0601
|
3.2
|
17.8
|
1.0
|
|
HE2
|
B:PHE103
|
3.5
|
8.2
|
1.0
|
|
HB3
|
B:ALA312
|
3.6
|
11.0
|
1.0
|
|
HB2
|
B:TYR295
|
3.6
|
16.9
|
1.0
|
|
C21
|
B:KF0601
|
3.7
|
17.8
|
1.0
|
|
HD21
|
B:LEU95
|
3.7
|
14.7
|
1.0
|
|
HB2
|
B:ALA312
|
3.7
|
11.0
|
1.0
|
|
HB1
|
B:ALA312
|
3.9
|
11.0
|
1.0
|
|
CB
|
B:ALA312
|
3.9
|
11.0
|
1.0
|
|
H211
|
B:KF0601
|
3.9
|
17.8
|
1.0
|
|
HD2
|
B:TYR295
|
4.0
|
16.9
|
1.0
|
|
CE2
|
B:PHE103
|
4.2
|
8.2
|
1.0
|
|
HB3
|
B:TYR295
|
4.2
|
16.9
|
1.0
|
|
HG
|
B:LEU95
|
4.2
|
14.7
|
1.0
|
|
CB
|
B:TYR295
|
4.2
|
16.9
|
1.0
|
|
CD1
|
B:PHE293
|
4.2
|
11.8
|
1.0
|
|
CD2
|
B:TYR295
|
4.3
|
16.9
|
1.0
|
|
CE2
|
B:PHE293
|
4.3
|
11.8
|
1.0
|
|
HE2
|
B:MET105
|
4.3
|
12.5
|
1.0
|
|
HD2
|
B:PHE103
|
4.3
|
8.2
|
1.0
|
|
CG
|
B:TYR295
|
4.4
|
16.9
|
1.0
|
|
HD11
|
B:LEU95
|
4.4
|
14.7
|
1.0
|
|
CD2
|
B:LEU95
|
4.5
|
14.7
|
1.0
|
|
C16
|
B:KF0601
|
4.5
|
17.8
|
1.0
|
|
HD23
|
B:LEU95
|
4.6
|
14.7
|
1.0
|
|
HE3
|
B:MET105
|
4.6
|
12.5
|
1.0
|
|
HD1
|
B:PHE293
|
4.6
|
11.8
|
1.0
|
|
HB2
|
B:MET105
|
4.6
|
12.5
|
1.0
|
|
CD2
|
B:PHE103
|
4.6
|
8.2
|
1.0
|
|
HG3
|
B:MET105
|
4.7
|
12.5
|
1.0
|
|
HE2
|
B:PHE293
|
4.7
|
11.8
|
1.0
|
|
CG
|
B:LEU95
|
4.8
|
14.7
|
1.0
|
|
C20
|
B:KF0601
|
4.9
|
17.8
|
1.0
|
|
CE
|
B:MET105
|
4.9
|
12.5
|
1.0
|
|
Fluorine binding site 7 out
of 9 in 8tra
Go back to
Fluorine Binding Sites List in 8tra
Fluorine binding site 7 out
of 9 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 7 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F601
b:17.8
occ:1.00
|
F02
|
C:KF0601
|
0.0
|
17.8
|
1.0
|
|
C22
|
C:KF0601
|
1.4
|
17.8
|
1.0
|
|
F04
|
C:KF0601
|
2.1
|
17.8
|
1.0
|
|
F03
|
C:KF0601
|
2.2
|
17.8
|
1.0
|
|
HZ
|
C:PHE293
|
2.4
|
11.8
|
1.0
|
|
HG
|
C:LEU95
|
2.5
|
14.7
|
1.0
|
|
C19
|
C:KF0601
|
2.5
|
17.8
|
1.0
|
|
H211
|
C:KF0601
|
2.6
|
17.8
|
1.0
|
|
HD2
|
C:PHE103
|
2.7
|
8.2
|
1.0
|
|
C21
|
C:KF0601
|
2.9
|
17.8
|
1.0
|
|
HE2
|
C:PHE103
|
2.9
|
8.2
|
1.0
|
|
CD2
|
C:PHE103
|
3.3
|
8.2
|
1.0
|
|
HD21
|
C:LEU95
|
3.3
|
14.7
|
1.0
|
|
CZ
|
C:PHE293
|
3.3
|
11.8
|
1.0
|
|
CG
|
C:LEU95
|
3.3
|
14.7
|
1.0
|
|
CE2
|
C:PHE103
|
3.4
|
8.2
|
1.0
|
|
HD11
|
C:LEU95
|
3.5
|
14.7
|
1.0
|
|
CD2
|
C:LEU95
|
3.7
|
14.7
|
1.0
|
|
HE1
|
C:PHE293
|
3.7
|
11.8
|
1.0
|
|
HD23
|
C:LEU95
|
3.7
|
14.7
|
1.0
|
|
C17
|
C:KF0601
|
3.8
|
17.8
|
1.0
|
|
CD1
|
C:LEU95
|
3.9
|
14.7
|
1.0
|
|
CE1
|
C:PHE293
|
4.0
|
11.8
|
1.0
|
|
HD12
|
C:LEU95
|
4.0
|
14.7
|
1.0
|
|
H
|
C:LEU95
|
4.1
|
14.7
|
1.0
|
|
O
|
C:TYR93
|
4.1
|
13.0
|
1.0
|
|
N
|
C:LEU95
|
4.2
|
14.7
|
1.0
|
|
HA
|
C:THR94
|
4.2
|
13.6
|
1.0
|
|
HB2
|
C:MET105
|
4.3
|
12.5
|
1.0
|
|
C
|
C:TYR93
|
4.3
|
13.0
|
1.0
|
|
C
|
C:THR94
|
4.3
|
13.6
|
1.0
|
|
C20
|
C:KF0601
|
4.4
|
17.8
|
1.0
|
|
CE2
|
C:PHE293
|
4.4
|
11.8
|
1.0
|
|
HE2
|
C:PHE293
|
4.4
|
11.8
|
1.0
|
|
HA
|
C:TYR93
|
4.4
|
13.0
|
1.0
|
|
HB3
|
C:PHE103
|
4.5
|
8.2
|
1.0
|
|
CG
|
C:PHE103
|
4.5
|
8.2
|
1.0
|
|
CL01
|
C:KF0601
|
4.5
|
17.8
|
1.0
|
|
CB
|
C:LEU95
|
4.5
|
14.7
|
1.0
|
|
N
|
C:THR94
|
4.5
|
13.6
|
1.0
|
|
CA
|
C:THR94
|
4.6
|
13.6
|
1.0
|
|
HA
|
C:LEU95
|
4.6
|
14.7
|
1.0
|
|
HD22
|
C:LEU95
|
4.6
|
14.7
|
1.0
|
|
CA
|
C:LEU95
|
4.7
|
14.7
|
1.0
|
|
CZ
|
C:PHE103
|
4.7
|
8.2
|
1.0
|
|
HD13
|
C:LEU95
|
4.8
|
14.7
|
1.0
|
|
O
|
C:THR94
|
4.8
|
13.6
|
1.0
|
|
HB2
|
C:LEU95
|
4.9
|
14.7
|
1.0
|
|
CA
|
C:TYR93
|
5.0
|
13.0
|
1.0
|
|
Fluorine binding site 8 out
of 9 in 8tra
Go back to
Fluorine Binding Sites List in 8tra
Fluorine binding site 8 out
of 9 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 8 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F601
b:17.8
occ:1.00
|
F03
|
C:KF0601
|
0.0
|
17.8
|
1.0
|
|
C22
|
C:KF0601
|
1.4
|
17.8
|
1.0
|
|
F04
|
C:KF0601
|
2.1
|
17.8
|
1.0
|
|
F02
|
C:KF0601
|
2.2
|
17.8
|
1.0
|
|
C19
|
C:KF0601
|
2.5
|
17.8
|
1.0
|
|
HE2
|
C:PHE103
|
2.6
|
8.2
|
1.0
|
|
HB2
|
C:MET105
|
2.6
|
12.5
|
1.0
|
|
HE3
|
C:MET105
|
3.0
|
12.5
|
1.0
|
|
HA
|
C:TYR93
|
3.2
|
13.0
|
1.0
|
|
C17
|
C:KF0601
|
3.2
|
17.8
|
1.0
|
|
CL01
|
C:KF0601
|
3.3
|
17.8
|
1.0
|
|
HG3
|
C:MET105
|
3.3
|
12.5
|
1.0
|
|
HE2
|
C:MET105
|
3.3
|
12.5
|
1.0
|
|
CE2
|
C:PHE103
|
3.4
|
8.2
|
1.0
|
|
CB
|
C:MET105
|
3.5
|
12.5
|
1.0
|
|
C21
|
C:KF0601
|
3.6
|
17.8
|
1.0
|
|
CE
|
C:MET105
|
3.6
|
12.5
|
1.0
|
|
HB1
|
C:ALA312
|
3.6
|
11.0
|
1.0
|
|
HZ
|
C:PHE293
|
3.7
|
11.8
|
1.0
|
|
HD2
|
C:PHE103
|
3.7
|
8.2
|
1.0
|
|
H211
|
C:KF0601
|
3.8
|
17.8
|
1.0
|
|
CG
|
C:MET105
|
3.9
|
12.5
|
1.0
|
|
O
|
C:TYR93
|
3.9
|
13.0
|
1.0
|
|
HB2
|
C:ALA312
|
3.9
|
11.0
|
1.0
|
|
HB3
|
C:MET105
|
4.0
|
12.5
|
1.0
|
|
CA
|
C:TYR93
|
4.0
|
13.0
|
1.0
|
|
CD2
|
C:PHE103
|
4.0
|
8.2
|
1.0
|
|
C
|
C:TYR93
|
4.0
|
13.0
|
1.0
|
|
CB
|
C:ALA312
|
4.1
|
11.0
|
1.0
|
|
HB3
|
C:ALA312
|
4.2
|
11.0
|
1.0
|
|
CZ
|
C:PHE293
|
4.3
|
11.8
|
1.0
|
|
H
|
C:MET105
|
4.3
|
12.5
|
1.0
|
|
HE1
|
C:MET105
|
4.4
|
12.5
|
1.0
|
|
O
|
C:ASP92
|
4.4
|
15.7
|
1.0
|
|
CZ
|
C:PHE103
|
4.5
|
8.2
|
1.0
|
|
CA
|
C:MET105
|
4.5
|
12.5
|
1.0
|
|
HE1
|
C:PHE293
|
4.5
|
11.8
|
1.0
|
|
C16
|
C:KF0601
|
4.6
|
17.8
|
1.0
|
|
HA
|
C:MET105
|
4.6
|
12.5
|
1.0
|
|
HZ
|
C:PHE103
|
4.6
|
8.2
|
1.0
|
|
SD
|
C:MET105
|
4.6
|
12.5
|
1.0
|
|
HG
|
C:LEU95
|
4.6
|
14.7
|
1.0
|
|
HB2
|
C:TYR93
|
4.6
|
13.0
|
1.0
|
|
N
|
C:MET105
|
4.7
|
12.5
|
1.0
|
|
HG2
|
C:MET105
|
4.7
|
12.5
|
1.0
|
|
N
|
C:THR94
|
4.8
|
13.6
|
1.0
|
|
CE1
|
C:PHE293
|
4.8
|
11.8
|
1.0
|
|
C20
|
C:KF0601
|
4.8
|
17.8
|
1.0
|
|
CB
|
C:TYR93
|
4.9
|
13.0
|
1.0
|
|
N
|
C:TYR93
|
4.9
|
13.0
|
1.0
|
|
Fluorine binding site 9 out
of 9 in 8tra
Go back to
Fluorine Binding Sites List in 8tra
Fluorine binding site 9 out
of 9 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160
 Mono view
 Stereo pair view
|
|
A full contact list of Fluorine with other atoms in the F binding
site number 9 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:F601
b:17.8
occ:1.00
|
F04
|
C:KF0601
|
0.0
|
17.8
|
1.0
|
|
C22
|
C:KF0601
|
1.4
|
17.8
|
1.0
|
|
F03
|
C:KF0601
|
2.1
|
17.8
|
1.0
|
|
F02
|
C:KF0601
|
2.1
|
17.8
|
1.0
|
|
C19
|
C:KF0601
|
2.5
|
17.8
|
1.0
|
|
HE1
|
C:PHE293
|
2.6
|
11.8
|
1.0
|
|
HZ
|
C:PHE293
|
2.6
|
11.8
|
1.0
|
|
CE1
|
C:PHE293
|
3.0
|
11.8
|
1.0
|
|
CZ
|
C:PHE293
|
3.1
|
11.8
|
1.0
|
|
CL01
|
C:KF0601
|
3.1
|
17.8
|
1.0
|
|
C17
|
C:KF0601
|
3.2
|
17.8
|
1.0
|
|
HE2
|
C:PHE103
|
3.5
|
8.2
|
1.0
|
|
HB3
|
C:ALA312
|
3.6
|
11.0
|
1.0
|
|
HB2
|
C:TYR295
|
3.6
|
16.9
|
1.0
|
|
C21
|
C:KF0601
|
3.7
|
17.8
|
1.0
|
|
HD21
|
C:LEU95
|
3.7
|
14.7
|
1.0
|
|
HB2
|
C:ALA312
|
3.7
|
11.0
|
1.0
|
|
HB1
|
C:ALA312
|
3.9
|
11.0
|
1.0
|
|
H211
|
C:KF0601
|
3.9
|
17.8
|
1.0
|
|
CB
|
C:ALA312
|
3.9
|
11.0
|
1.0
|
|
HD2
|
C:TYR295
|
4.1
|
16.9
|
1.0
|
|
CE2
|
C:PHE103
|
4.2
|
8.2
|
1.0
|
|
HB3
|
C:TYR295
|
4.2
|
16.9
|
1.0
|
|
HG
|
C:LEU95
|
4.2
|
14.7
|
1.0
|
|
CB
|
C:TYR295
|
4.2
|
16.9
|
1.0
|
|
CD1
|
C:PHE293
|
4.2
|
11.8
|
1.0
|
|
CD2
|
C:TYR295
|
4.3
|
16.9
|
1.0
|
|
CE2
|
C:PHE293
|
4.3
|
11.8
|
1.0
|
|
HE2
|
C:MET105
|
4.3
|
12.5
|
1.0
|
|
HD2
|
C:PHE103
|
4.3
|
8.2
|
1.0
|
|
CG
|
C:TYR295
|
4.4
|
16.9
|
1.0
|
|
HD11
|
C:LEU95
|
4.4
|
14.7
|
1.0
|
|
CD2
|
C:LEU95
|
4.5
|
14.7
|
1.0
|
|
C16
|
C:KF0601
|
4.5
|
17.8
|
1.0
|
|
HD23
|
C:LEU95
|
4.6
|
14.7
|
1.0
|
|
HE3
|
C:MET105
|
4.6
|
12.5
|
1.0
|
|
HD1
|
C:PHE293
|
4.6
|
11.8
|
1.0
|
|
HB2
|
C:MET105
|
4.6
|
12.5
|
1.0
|
|
CD2
|
C:PHE103
|
4.6
|
8.2
|
1.0
|
|
HG3
|
C:MET105
|
4.7
|
12.5
|
1.0
|
|
HE2
|
C:PHE293
|
4.7
|
11.8
|
1.0
|
|
CG
|
C:LEU95
|
4.8
|
14.7
|
1.0
|
|
C20
|
C:KF0601
|
4.9
|
17.8
|
1.0
|
|
CE
|
C:MET105
|
4.9
|
12.5
|
1.0
|
|
Reference:
A.C.Oken,
I.A.Ditter,
N.E.Lisi,
I.Krishnamurthy,
M.H.Godsey,
S.E.Mansoor.
P2X 7 Receptors Exhibit at Least Three Modes of Allosteric Antagonism. Sci Adv V. 10 O5084 2024.
ISSN: ESSN 2375-2548
PubMed: 39365862
DOI: 10.1126/SCIADV.ADO5084
Page generated: Thu Oct 31 19:57:41 2024
|
