Chlorine in PDB 8tr7: Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977
Other elements in 8tr7:
The structure of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977 also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977
(pdb code 8tr7). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977, PDB code: 8tr7:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 8tr7
Go back to
Chlorine Binding Sites List in 8tr7
Chlorine binding site 1 out
of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl601
b:25.1
occ:1.00
|
CL01
|
A:KDU601
|
0.0
|
25.1
|
1.0
|
C02
|
A:KDU601
|
1.8
|
25.1
|
1.0
|
C08
|
A:KDU601
|
2.7
|
25.1
|
1.0
|
C03
|
A:KDU601
|
2.7
|
25.1
|
1.0
|
N09
|
A:KDU601
|
3.1
|
25.1
|
1.0
|
HG21
|
A:ILE310
|
3.1
|
23.5
|
1.0
|
HB2
|
A:ALA312
|
3.2
|
19.7
|
1.0
|
CL04
|
A:KDU601
|
3.2
|
25.1
|
1.0
|
N10
|
A:KDU601
|
3.5
|
25.1
|
1.0
|
HD12
|
A:ILE310
|
3.5
|
23.5
|
1.0
|
HB
|
A:ILE310
|
3.6
|
23.5
|
1.0
|
SD
|
A:MET105
|
3.6
|
20.4
|
1.0
|
HG22
|
A:ILE310
|
3.6
|
23.5
|
1.0
|
CG2
|
A:ILE310
|
3.8
|
23.5
|
1.0
|
HD13
|
A:ILE310
|
3.8
|
23.5
|
1.0
|
C13
|
A:KDU601
|
3.9
|
25.1
|
1.0
|
H171
|
A:KDU601
|
3.9
|
25.1
|
1.0
|
CB
|
A:ALA312
|
4.0
|
19.7
|
1.0
|
C07
|
A:KDU601
|
4.0
|
25.1
|
1.0
|
C05
|
A:KDU601
|
4.1
|
25.1
|
1.0
|
CD1
|
A:ILE310
|
4.1
|
23.5
|
1.0
|
HB1
|
A:ALA312
|
4.1
|
19.7
|
1.0
|
CB
|
A:ILE310
|
4.1
|
23.5
|
1.0
|
HE1
|
A:MET105
|
4.2
|
20.4
|
1.0
|
H141
|
A:KDU601
|
4.3
|
25.1
|
1.0
|
HB3
|
A:ALA312
|
4.3
|
19.7
|
1.0
|
HB3
|
A:TYR295
|
4.3
|
24.6
|
1.0
|
N11
|
A:KDU601
|
4.4
|
25.1
|
1.0
|
N14
|
A:KDU601
|
4.4
|
25.1
|
1.0
|
CE
|
A:MET105
|
4.4
|
20.4
|
1.0
|
C06
|
A:KDU601
|
4.6
|
25.1
|
1.0
|
N12
|
A:KDU601
|
4.6
|
25.1
|
1.0
|
HG23
|
A:ILE310
|
4.6
|
23.5
|
1.0
|
HE2
|
A:MET105
|
4.6
|
20.4
|
1.0
|
HE1
|
A:PHE293
|
4.7
|
20.7
|
1.0
|
CG1
|
A:ILE310
|
4.7
|
23.5
|
1.0
|
HD2
|
A:TYR295
|
4.7
|
24.6
|
1.0
|
C17
|
A:KDU601
|
4.9
|
25.1
|
1.0
|
HD11
|
A:ILE310
|
4.9
|
23.5
|
1.0
|
H051
|
A:KDU601
|
4.9
|
25.1
|
1.0
|
H071
|
A:KDU601
|
4.9
|
25.1
|
1.0
|
HZ
|
A:PHE293
|
5.0
|
20.7
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 8tr7
Go back to
Chlorine Binding Sites List in 8tr7
Chlorine binding site 2 out
of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl601
b:25.1
occ:1.00
|
CL04
|
A:KDU601
|
0.0
|
25.1
|
1.0
|
C03
|
A:KDU601
|
1.8
|
25.1
|
1.0
|
HE2
|
A:PHE103
|
2.6
|
17.8
|
1.0
|
HZ
|
A:PHE293
|
2.6
|
20.7
|
1.0
|
C05
|
A:KDU601
|
2.7
|
25.1
|
1.0
|
C02
|
A:KDU601
|
2.8
|
25.1
|
1.0
|
H051
|
A:KDU601
|
2.9
|
25.1
|
1.0
|
HB1
|
A:ALA312
|
3.1
|
19.7
|
1.0
|
HB2
|
A:MET105
|
3.2
|
20.4
|
1.0
|
CL01
|
A:KDU601
|
3.2
|
25.1
|
1.0
|
CZ
|
A:PHE293
|
3.3
|
20.7
|
1.0
|
CE2
|
A:PHE103
|
3.4
|
17.8
|
1.0
|
HB2
|
A:ALA312
|
3.4
|
19.7
|
1.0
|
HB3
|
A:ALA312
|
3.4
|
19.7
|
1.0
|
CB
|
A:ALA312
|
3.5
|
19.7
|
1.0
|
SD
|
A:MET105
|
3.6
|
20.4
|
1.0
|
HE1
|
A:PHE293
|
3.9
|
20.7
|
1.0
|
HD2
|
A:PHE103
|
3.9
|
17.8
|
1.0
|
HD21
|
A:LEU95
|
3.9
|
22.9
|
1.0
|
CE1
|
A:PHE293
|
4.0
|
20.7
|
1.0
|
HG3
|
A:MET105
|
4.0
|
20.4
|
1.0
|
CB
|
A:MET105
|
4.0
|
20.4
|
1.0
|
C06
|
A:KDU601
|
4.0
|
25.1
|
1.0
|
CD2
|
A:PHE103
|
4.1
|
17.8
|
1.0
|
C08
|
A:KDU601
|
4.1
|
25.1
|
1.0
|
CE2
|
A:PHE293
|
4.1
|
20.7
|
1.0
|
CG
|
A:MET105
|
4.1
|
20.4
|
1.0
|
HE2
|
A:PHE293
|
4.1
|
20.7
|
1.0
|
HZ
|
A:PHE103
|
4.2
|
17.8
|
1.0
|
CZ
|
A:PHE103
|
4.3
|
17.8
|
1.0
|
HA
|
A:TYR93
|
4.5
|
20.4
|
1.0
|
HB3
|
A:MET105
|
4.5
|
20.4
|
1.0
|
HG
|
A:LEU95
|
4.6
|
22.9
|
1.0
|
C07
|
A:KDU601
|
4.6
|
25.1
|
1.0
|
HD23
|
A:LEU95
|
4.6
|
22.9
|
1.0
|
CD2
|
A:LEU95
|
4.7
|
22.9
|
1.0
|
HE2
|
A:MET105
|
4.7
|
20.4
|
1.0
|
O
|
A:TYR93
|
4.8
|
20.4
|
1.0
|
CE
|
A:MET105
|
4.9
|
20.4
|
1.0
|
H061
|
A:KDU601
|
4.9
|
25.1
|
1.0
|
CA
|
A:ALA312
|
5.0
|
19.7
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 8tr7
Go back to
Chlorine Binding Sites List in 8tr7
Chlorine binding site 3 out
of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl601
b:25.1
occ:1.00
|
CL01
|
B:KDU601
|
0.0
|
25.1
|
1.0
|
C02
|
B:KDU601
|
1.8
|
25.1
|
1.0
|
C08
|
B:KDU601
|
2.7
|
25.1
|
1.0
|
C03
|
B:KDU601
|
2.7
|
25.1
|
1.0
|
N09
|
B:KDU601
|
3.1
|
25.1
|
1.0
|
HG21
|
B:ILE310
|
3.1
|
23.5
|
1.0
|
HB2
|
B:ALA312
|
3.2
|
19.7
|
1.0
|
CL04
|
B:KDU601
|
3.2
|
25.1
|
1.0
|
N10
|
B:KDU601
|
3.5
|
25.1
|
1.0
|
HD12
|
B:ILE310
|
3.5
|
23.5
|
1.0
|
HB
|
B:ILE310
|
3.6
|
23.5
|
1.0
|
SD
|
B:MET105
|
3.6
|
20.4
|
1.0
|
HG22
|
B:ILE310
|
3.6
|
23.5
|
1.0
|
CG2
|
B:ILE310
|
3.8
|
23.5
|
1.0
|
HD13
|
B:ILE310
|
3.8
|
23.5
|
1.0
|
C13
|
B:KDU601
|
3.9
|
25.1
|
1.0
|
H171
|
B:KDU601
|
3.9
|
25.1
|
1.0
|
CB
|
B:ALA312
|
4.0
|
19.7
|
1.0
|
C07
|
B:KDU601
|
4.0
|
25.1
|
1.0
|
C05
|
B:KDU601
|
4.1
|
25.1
|
1.0
|
CD1
|
B:ILE310
|
4.1
|
23.5
|
1.0
|
HB1
|
B:ALA312
|
4.1
|
19.7
|
1.0
|
CB
|
B:ILE310
|
4.1
|
23.5
|
1.0
|
HE1
|
B:MET105
|
4.2
|
20.4
|
1.0
|
H141
|
B:KDU601
|
4.3
|
25.1
|
1.0
|
HB3
|
B:ALA312
|
4.3
|
19.7
|
1.0
|
HB3
|
B:TYR295
|
4.3
|
24.6
|
1.0
|
N11
|
B:KDU601
|
4.4
|
25.1
|
1.0
|
N14
|
B:KDU601
|
4.4
|
25.1
|
1.0
|
CE
|
B:MET105
|
4.4
|
20.4
|
1.0
|
C06
|
B:KDU601
|
4.6
|
25.1
|
1.0
|
N12
|
B:KDU601
|
4.6
|
25.1
|
1.0
|
HG23
|
B:ILE310
|
4.6
|
23.5
|
1.0
|
HE2
|
B:MET105
|
4.6
|
20.4
|
1.0
|
HE1
|
B:PHE293
|
4.7
|
20.7
|
1.0
|
CG1
|
B:ILE310
|
4.7
|
23.5
|
1.0
|
HD2
|
B:TYR295
|
4.7
|
24.6
|
1.0
|
C17
|
B:KDU601
|
4.9
|
25.1
|
1.0
|
HD11
|
B:ILE310
|
4.9
|
23.5
|
1.0
|
H051
|
B:KDU601
|
4.9
|
25.1
|
1.0
|
H071
|
B:KDU601
|
4.9
|
25.1
|
1.0
|
HZ
|
B:PHE293
|
5.0
|
20.7
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 8tr7
Go back to
Chlorine Binding Sites List in 8tr7
Chlorine binding site 4 out
of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl601
b:25.1
occ:1.00
|
CL04
|
B:KDU601
|
0.0
|
25.1
|
1.0
|
C03
|
B:KDU601
|
1.8
|
25.1
|
1.0
|
HE2
|
B:PHE103
|
2.6
|
17.8
|
1.0
|
HZ
|
B:PHE293
|
2.6
|
20.7
|
1.0
|
C05
|
B:KDU601
|
2.7
|
25.1
|
1.0
|
C02
|
B:KDU601
|
2.8
|
25.1
|
1.0
|
H051
|
B:KDU601
|
2.9
|
25.1
|
1.0
|
HB1
|
B:ALA312
|
3.1
|
19.7
|
1.0
|
CL01
|
B:KDU601
|
3.2
|
25.1
|
1.0
|
HB2
|
B:MET105
|
3.2
|
20.4
|
1.0
|
CZ
|
B:PHE293
|
3.3
|
20.7
|
1.0
|
CE2
|
B:PHE103
|
3.4
|
17.8
|
1.0
|
HB2
|
B:ALA312
|
3.4
|
19.7
|
1.0
|
HB3
|
B:ALA312
|
3.4
|
19.7
|
1.0
|
CB
|
B:ALA312
|
3.5
|
19.7
|
1.0
|
SD
|
B:MET105
|
3.6
|
20.4
|
1.0
|
HE1
|
B:PHE293
|
3.9
|
20.7
|
1.0
|
HD2
|
B:PHE103
|
3.9
|
17.8
|
1.0
|
HD21
|
B:LEU95
|
3.9
|
22.9
|
1.0
|
CE1
|
B:PHE293
|
4.0
|
20.7
|
1.0
|
HG3
|
B:MET105
|
4.0
|
20.4
|
1.0
|
CB
|
B:MET105
|
4.0
|
20.4
|
1.0
|
C06
|
B:KDU601
|
4.0
|
25.1
|
1.0
|
CD2
|
B:PHE103
|
4.1
|
17.8
|
1.0
|
C08
|
B:KDU601
|
4.1
|
25.1
|
1.0
|
CE2
|
B:PHE293
|
4.1
|
20.7
|
1.0
|
CG
|
B:MET105
|
4.1
|
20.4
|
1.0
|
HE2
|
B:PHE293
|
4.1
|
20.7
|
1.0
|
HZ
|
B:PHE103
|
4.2
|
17.8
|
1.0
|
CZ
|
B:PHE103
|
4.3
|
17.8
|
1.0
|
HA
|
B:TYR93
|
4.5
|
20.4
|
1.0
|
HB3
|
B:MET105
|
4.5
|
20.4
|
1.0
|
HG
|
B:LEU95
|
4.6
|
22.9
|
1.0
|
C07
|
B:KDU601
|
4.6
|
25.1
|
1.0
|
HD23
|
B:LEU95
|
4.6
|
22.9
|
1.0
|
CD2
|
B:LEU95
|
4.7
|
22.9
|
1.0
|
HE2
|
B:MET105
|
4.7
|
20.4
|
1.0
|
O
|
B:TYR93
|
4.8
|
20.4
|
1.0
|
CE
|
B:MET105
|
4.9
|
20.4
|
1.0
|
H061
|
B:KDU601
|
4.9
|
25.1
|
1.0
|
CA
|
B:ALA312
|
5.0
|
19.7
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 8tr7
Go back to
Chlorine Binding Sites List in 8tr7
Chlorine binding site 5 out
of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl601
b:25.1
occ:1.00
|
CL01
|
C:KDU601
|
0.0
|
25.1
|
1.0
|
C02
|
C:KDU601
|
1.8
|
25.1
|
1.0
|
C08
|
C:KDU601
|
2.7
|
25.1
|
1.0
|
C03
|
C:KDU601
|
2.7
|
25.1
|
1.0
|
N09
|
C:KDU601
|
3.1
|
25.1
|
1.0
|
HG21
|
C:ILE310
|
3.1
|
23.5
|
1.0
|
HB2
|
C:ALA312
|
3.2
|
19.7
|
1.0
|
CL04
|
C:KDU601
|
3.2
|
25.1
|
1.0
|
N10
|
C:KDU601
|
3.5
|
25.1
|
1.0
|
HD12
|
C:ILE310
|
3.5
|
23.5
|
1.0
|
HB
|
C:ILE310
|
3.6
|
23.5
|
1.0
|
SD
|
C:MET105
|
3.6
|
20.4
|
1.0
|
HG22
|
C:ILE310
|
3.6
|
23.5
|
1.0
|
CG2
|
C:ILE310
|
3.8
|
23.5
|
1.0
|
HD13
|
C:ILE310
|
3.8
|
23.5
|
1.0
|
C13
|
C:KDU601
|
3.9
|
25.1
|
1.0
|
H171
|
C:KDU601
|
3.9
|
25.1
|
1.0
|
CB
|
C:ALA312
|
4.0
|
19.7
|
1.0
|
C07
|
C:KDU601
|
4.0
|
25.1
|
1.0
|
C05
|
C:KDU601
|
4.1
|
25.1
|
1.0
|
CD1
|
C:ILE310
|
4.1
|
23.5
|
1.0
|
HB1
|
C:ALA312
|
4.1
|
19.7
|
1.0
|
CB
|
C:ILE310
|
4.1
|
23.5
|
1.0
|
HE1
|
C:MET105
|
4.2
|
20.4
|
1.0
|
H141
|
C:KDU601
|
4.3
|
25.1
|
1.0
|
HB3
|
C:ALA312
|
4.3
|
19.7
|
1.0
|
HB3
|
C:TYR295
|
4.3
|
24.6
|
1.0
|
N11
|
C:KDU601
|
4.4
|
25.1
|
1.0
|
N14
|
C:KDU601
|
4.4
|
25.1
|
1.0
|
CE
|
C:MET105
|
4.4
|
20.4
|
1.0
|
C06
|
C:KDU601
|
4.6
|
25.1
|
1.0
|
N12
|
C:KDU601
|
4.6
|
25.1
|
1.0
|
HG23
|
C:ILE310
|
4.6
|
23.5
|
1.0
|
HE2
|
C:MET105
|
4.6
|
20.4
|
1.0
|
HE1
|
C:PHE293
|
4.7
|
20.7
|
1.0
|
CG1
|
C:ILE310
|
4.7
|
23.5
|
1.0
|
HD2
|
C:TYR295
|
4.7
|
24.6
|
1.0
|
C17
|
C:KDU601
|
4.9
|
25.1
|
1.0
|
HD11
|
C:ILE310
|
4.9
|
23.5
|
1.0
|
H071
|
C:KDU601
|
4.9
|
25.1
|
1.0
|
H051
|
C:KDU601
|
4.9
|
25.1
|
1.0
|
HZ
|
C:PHE293
|
5.0
|
20.7
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 8tr7
Go back to
Chlorine Binding Sites List in 8tr7
Chlorine binding site 6 out
of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl601
b:25.1
occ:1.00
|
CL04
|
C:KDU601
|
0.0
|
25.1
|
1.0
|
C03
|
C:KDU601
|
1.8
|
25.1
|
1.0
|
HE2
|
C:PHE103
|
2.6
|
17.8
|
1.0
|
HZ
|
C:PHE293
|
2.6
|
20.7
|
1.0
|
C05
|
C:KDU601
|
2.7
|
25.1
|
1.0
|
C02
|
C:KDU601
|
2.8
|
25.1
|
1.0
|
H051
|
C:KDU601
|
2.9
|
25.1
|
1.0
|
HB1
|
C:ALA312
|
3.1
|
19.7
|
1.0
|
HB2
|
C:MET105
|
3.2
|
20.4
|
1.0
|
CL01
|
C:KDU601
|
3.2
|
25.1
|
1.0
|
CZ
|
C:PHE293
|
3.3
|
20.7
|
1.0
|
CE2
|
C:PHE103
|
3.4
|
17.8
|
1.0
|
HB2
|
C:ALA312
|
3.4
|
19.7
|
1.0
|
HB3
|
C:ALA312
|
3.4
|
19.7
|
1.0
|
CB
|
C:ALA312
|
3.5
|
19.7
|
1.0
|
SD
|
C:MET105
|
3.6
|
20.4
|
1.0
|
HE1
|
C:PHE293
|
3.9
|
20.7
|
1.0
|
HD2
|
C:PHE103
|
3.9
|
17.8
|
1.0
|
HD21
|
C:LEU95
|
3.9
|
22.9
|
1.0
|
CE1
|
C:PHE293
|
4.0
|
20.7
|
1.0
|
HG3
|
C:MET105
|
4.0
|
20.4
|
1.0
|
CB
|
C:MET105
|
4.0
|
20.4
|
1.0
|
C06
|
C:KDU601
|
4.0
|
25.1
|
1.0
|
CD2
|
C:PHE103
|
4.1
|
17.8
|
1.0
|
C08
|
C:KDU601
|
4.1
|
25.1
|
1.0
|
CE2
|
C:PHE293
|
4.1
|
20.7
|
1.0
|
CG
|
C:MET105
|
4.1
|
20.4
|
1.0
|
HE2
|
C:PHE293
|
4.1
|
20.7
|
1.0
|
HZ
|
C:PHE103
|
4.2
|
17.8
|
1.0
|
CZ
|
C:PHE103
|
4.3
|
17.8
|
1.0
|
HA
|
C:TYR93
|
4.5
|
20.4
|
1.0
|
HB3
|
C:MET105
|
4.5
|
20.4
|
1.0
|
HG
|
C:LEU95
|
4.6
|
22.9
|
1.0
|
C07
|
C:KDU601
|
4.6
|
25.1
|
1.0
|
HD23
|
C:LEU95
|
4.6
|
22.9
|
1.0
|
CD2
|
C:LEU95
|
4.7
|
22.9
|
1.0
|
HE2
|
C:MET105
|
4.7
|
20.4
|
1.0
|
O
|
C:TYR93
|
4.8
|
20.4
|
1.0
|
CE
|
C:MET105
|
4.9
|
20.4
|
1.0
|
H061
|
C:KDU601
|
4.9
|
25.1
|
1.0
|
CA
|
C:ALA312
|
5.0
|
19.7
|
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 18:01:48 2024
|