Chlorine in PDB 8tr8: Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist AZD9056
Other elements in 8tr8:
The structure of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist AZD9056 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 AZD9056
(pdb code 8tr8). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the
Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist AZD9056, PDB code: 8tr8:
Jump to Chlorine binding site number:
1;
2;
3;
Chlorine binding site 1 out
of 3 in 8tr8
Go back to
Chlorine Binding Sites List in 8tr8
Chlorine binding site 1 out
of 3 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist AZD9056
 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 AZD9056 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl601
b:14.5
occ:1.00
|
CL29
|
A:KEI601
|
0.0
|
14.5
|
1.0
|
|
C03
|
A:KEI601
|
1.8
|
14.5
|
1.0
|
|
C02
|
A:KEI601
|
2.8
|
14.5
|
1.0
|
|
C04
|
A:KEI601
|
2.8
|
14.5
|
1.0
|
|
H021
|
A:KEI601
|
2.8
|
14.5
|
1.0
|
|
HG21
|
A:ILE310
|
2.9
|
11.9
|
1.0
|
|
HE1
|
A:MET105
|
3.1
|
8.9
|
1.0
|
|
C07
|
A:KEI601
|
3.1
|
14.5
|
1.0
|
|
HD13
|
A:ILE310
|
3.3
|
11.9
|
1.0
|
|
O21
|
A:KEI601
|
3.5
|
14.5
|
1.0
|
|
HG12
|
A:ILE310
|
3.5
|
11.9
|
1.0
|
|
HG23
|
A:ILE310
|
3.5
|
11.9
|
1.0
|
|
HD11
|
A:ILE310
|
3.6
|
11.9
|
1.0
|
|
CG2
|
A:ILE310
|
3.6
|
11.9
|
1.0
|
|
H121
|
A:KEI601
|
3.7
|
14.5
|
1.0
|
|
HE2
|
A:LYS110
|
3.8
|
14.8
|
1.0
|
|
CD1
|
A:ILE310
|
3.8
|
11.9
|
1.0
|
|
CE
|
A:MET105
|
3.9
|
8.9
|
1.0
|
|
SD
|
A:MET105
|
3.9
|
8.9
|
1.0
|
|
HZ1
|
A:LYS110
|
3.9
|
14.8
|
1.0
|
|
N08
|
A:KEI601
|
3.9
|
14.5
|
1.0
|
|
HB2
|
A:TYR108
|
4.0
|
10.5
|
1.0
|
|
CG1
|
A:ILE310
|
4.0
|
11.9
|
1.0
|
|
C05
|
A:KEI601
|
4.0
|
14.5
|
1.0
|
|
C01
|
A:KEI601
|
4.1
|
14.5
|
1.0
|
|
HE3
|
A:LYS110
|
4.1
|
14.8
|
1.0
|
|
HB3
|
A:TYR108
|
4.2
|
10.5
|
1.0
|
|
CG
|
A:TYR108
|
4.2
|
10.5
|
1.0
|
|
H221
|
A:KEI601
|
4.3
|
14.5
|
1.0
|
|
CE
|
A:LYS110
|
4.3
|
14.8
|
1.0
|
|
HG22
|
A:ILE310
|
4.3
|
11.9
|
1.0
|
|
C12
|
A:KEI601
|
4.3
|
14.5
|
1.0
|
|
HE3
|
A:MET105
|
4.4
|
8.9
|
1.0
|
|
CB
|
A:TYR108
|
4.4
|
10.5
|
1.0
|
|
CD1
|
A:TYR108
|
4.4
|
10.5
|
1.0
|
|
H192
|
A:KEI601
|
4.5
|
14.5
|
1.0
|
|
CB
|
A:ILE310
|
4.5
|
11.9
|
1.0
|
|
H081
|
A:KEI601
|
4.5
|
14.5
|
1.0
|
|
NZ
|
A:LYS110
|
4.5
|
14.8
|
1.0
|
|
HE2
|
A:MET105
|
4.5
|
8.9
|
1.0
|
|
HD1
|
A:TYR108
|
4.5
|
10.5
|
1.0
|
|
O
|
A:HOH753
|
4.6
|
30.0
|
1.0
|
|
C06
|
A:KEI601
|
4.6
|
14.5
|
1.0
|
|
CD2
|
A:TYR108
|
4.6
|
10.5
|
1.0
|
|
HE2
|
A:PHE88
|
4.6
|
14.1
|
1.0
|
|
HD12
|
A:ILE310
|
4.7
|
11.9
|
1.0
|
|
H051
|
A:KEI601
|
4.7
|
14.5
|
1.0
|
|
H011
|
A:KEI601
|
4.8
|
14.5
|
1.0
|
|
HD2
|
A:TYR108
|
4.8
|
10.5
|
1.0
|
|
HZ2
|
A:LYS110
|
4.9
|
14.8
|
1.0
|
|
HG13
|
A:ILE310
|
4.9
|
11.9
|
1.0
|
|
CE1
|
A:TYR108
|
4.9
|
10.5
|
1.0
|
|
C09
|
A:KEI601
|
4.9
|
14.5
|
1.0
|
|
HB
|
A:ILE310
|
5.0
|
11.9
|
1.0
|
|
Chlorine binding site 2 out
of 3 in 8tr8
Go back to
Chlorine Binding Sites List in 8tr8
Chlorine binding site 2 out
of 3 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist AZD9056
 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 AZD9056 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl601
b:14.5
occ:1.00
|
CL29
|
B:KEI601
|
0.0
|
14.5
|
1.0
|
|
C03
|
B:KEI601
|
1.8
|
14.5
|
1.0
|
|
C02
|
B:KEI601
|
2.8
|
14.5
|
1.0
|
|
C04
|
B:KEI601
|
2.8
|
14.5
|
1.0
|
|
H021
|
B:KEI601
|
2.8
|
14.5
|
1.0
|
|
HG21
|
B:ILE310
|
2.9
|
11.9
|
1.0
|
|
HE1
|
B:MET105
|
3.1
|
8.9
|
1.0
|
|
C07
|
B:KEI601
|
3.1
|
14.5
|
1.0
|
|
HD13
|
B:ILE310
|
3.3
|
11.9
|
1.0
|
|
O21
|
B:KEI601
|
3.5
|
14.5
|
1.0
|
|
HG12
|
B:ILE310
|
3.5
|
11.9
|
1.0
|
|
HG23
|
B:ILE310
|
3.5
|
11.9
|
1.0
|
|
HD11
|
B:ILE310
|
3.6
|
11.9
|
1.0
|
|
CG2
|
B:ILE310
|
3.6
|
11.9
|
1.0
|
|
H121
|
B:KEI601
|
3.7
|
14.5
|
1.0
|
|
HE2
|
B:LYS110
|
3.8
|
14.8
|
1.0
|
|
CD1
|
B:ILE310
|
3.8
|
11.9
|
1.0
|
|
CE
|
B:MET105
|
3.9
|
8.9
|
1.0
|
|
HZ1
|
B:LYS110
|
3.9
|
14.8
|
1.0
|
|
SD
|
B:MET105
|
3.9
|
8.9
|
1.0
|
|
N08
|
B:KEI601
|
3.9
|
14.5
|
1.0
|
|
HB2
|
B:TYR108
|
4.0
|
10.5
|
1.0
|
|
CG1
|
B:ILE310
|
4.0
|
11.9
|
1.0
|
|
C05
|
B:KEI601
|
4.0
|
14.5
|
1.0
|
|
C01
|
B:KEI601
|
4.1
|
14.5
|
1.0
|
|
HE3
|
B:LYS110
|
4.1
|
14.8
|
1.0
|
|
HB3
|
B:TYR108
|
4.2
|
10.5
|
1.0
|
|
CG
|
B:TYR108
|
4.2
|
10.5
|
1.0
|
|
H221
|
B:KEI601
|
4.3
|
14.5
|
1.0
|
|
CE
|
B:LYS110
|
4.3
|
14.8
|
1.0
|
|
HG22
|
B:ILE310
|
4.3
|
11.9
|
1.0
|
|
C12
|
B:KEI601
|
4.3
|
14.5
|
1.0
|
|
HE3
|
B:MET105
|
4.4
|
8.9
|
1.0
|
|
CB
|
B:TYR108
|
4.4
|
10.5
|
1.0
|
|
CD1
|
B:TYR108
|
4.4
|
10.5
|
1.0
|
|
O
|
B:HOH756
|
4.4
|
30.0
|
1.0
|
|
H192
|
B:KEI601
|
4.5
|
14.5
|
1.0
|
|
CB
|
B:ILE310
|
4.5
|
11.9
|
1.0
|
|
H081
|
B:KEI601
|
4.5
|
14.5
|
1.0
|
|
NZ
|
B:LYS110
|
4.5
|
14.8
|
1.0
|
|
HE2
|
B:MET105
|
4.5
|
8.9
|
1.0
|
|
HD1
|
B:TYR108
|
4.5
|
10.5
|
1.0
|
|
C06
|
B:KEI601
|
4.6
|
14.5
|
1.0
|
|
CD2
|
B:TYR108
|
4.6
|
10.5
|
1.0
|
|
HE2
|
B:PHE88
|
4.6
|
14.1
|
1.0
|
|
HD12
|
B:ILE310
|
4.7
|
11.9
|
1.0
|
|
H051
|
B:KEI601
|
4.7
|
14.5
|
1.0
|
|
H011
|
B:KEI601
|
4.8
|
14.5
|
1.0
|
|
HD2
|
B:TYR108
|
4.8
|
10.5
|
1.0
|
|
HZ2
|
B:LYS110
|
4.9
|
14.8
|
1.0
|
|
HG13
|
B:ILE310
|
4.9
|
11.9
|
1.0
|
|
CE1
|
B:TYR108
|
4.9
|
10.5
|
1.0
|
|
C09
|
B:KEI601
|
4.9
|
14.5
|
1.0
|
|
HB
|
B:ILE310
|
5.0
|
11.9
|
1.0
|
|
Chlorine binding site 3 out
of 3 in 8tr8
Go back to
Chlorine Binding Sites List in 8tr8
Chlorine binding site 3 out
of 3 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist AZD9056
 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 AZD9056 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl601
b:14.5
occ:1.00
|
CL29
|
C:KEI601
|
0.0
|
14.5
|
1.0
|
|
C03
|
C:KEI601
|
1.8
|
14.5
|
1.0
|
|
C02
|
C:KEI601
|
2.8
|
14.5
|
1.0
|
|
C04
|
C:KEI601
|
2.8
|
14.5
|
1.0
|
|
H021
|
C:KEI601
|
2.8
|
14.5
|
1.0
|
|
HG21
|
C:ILE310
|
2.9
|
11.9
|
1.0
|
|
HE1
|
C:MET105
|
3.1
|
8.9
|
1.0
|
|
C07
|
C:KEI601
|
3.1
|
14.5
|
1.0
|
|
HD13
|
C:ILE310
|
3.3
|
11.9
|
1.0
|
|
O21
|
C:KEI601
|
3.5
|
14.5
|
1.0
|
|
HG12
|
C:ILE310
|
3.5
|
11.9
|
1.0
|
|
HG23
|
C:ILE310
|
3.5
|
11.9
|
1.0
|
|
HD11
|
C:ILE310
|
3.6
|
11.9
|
1.0
|
|
CG2
|
C:ILE310
|
3.6
|
11.9
|
1.0
|
|
H121
|
C:KEI601
|
3.7
|
14.5
|
1.0
|
|
HE2
|
C:LYS110
|
3.8
|
14.8
|
1.0
|
|
CD1
|
C:ILE310
|
3.8
|
11.9
|
1.0
|
|
CE
|
C:MET105
|
3.9
|
8.9
|
1.0
|
|
SD
|
C:MET105
|
3.9
|
8.9
|
1.0
|
|
HZ1
|
C:LYS110
|
3.9
|
14.8
|
1.0
|
|
N08
|
C:KEI601
|
3.9
|
14.5
|
1.0
|
|
HB2
|
C:TYR108
|
4.0
|
10.5
|
1.0
|
|
CG1
|
C:ILE310
|
4.0
|
11.9
|
1.0
|
|
C05
|
C:KEI601
|
4.0
|
14.5
|
1.0
|
|
C01
|
C:KEI601
|
4.1
|
14.5
|
1.0
|
|
HE3
|
C:LYS110
|
4.1
|
14.8
|
1.0
|
|
HB3
|
C:TYR108
|
4.2
|
10.5
|
1.0
|
|
CG
|
C:TYR108
|
4.2
|
10.5
|
1.0
|
|
H221
|
C:KEI601
|
4.3
|
14.5
|
1.0
|
|
CE
|
C:LYS110
|
4.3
|
14.8
|
1.0
|
|
HG22
|
C:ILE310
|
4.3
|
11.9
|
1.0
|
|
C12
|
C:KEI601
|
4.3
|
14.5
|
1.0
|
|
HE3
|
C:MET105
|
4.4
|
8.9
|
1.0
|
|
CB
|
C:TYR108
|
4.4
|
10.5
|
1.0
|
|
CD1
|
C:TYR108
|
4.4
|
10.5
|
1.0
|
|
H192
|
C:KEI601
|
4.5
|
14.5
|
1.0
|
|
CB
|
C:ILE310
|
4.5
|
11.9
|
1.0
|
|
H081
|
C:KEI601
|
4.5
|
14.5
|
1.0
|
|
NZ
|
C:LYS110
|
4.5
|
14.8
|
1.0
|
|
HE2
|
C:MET105
|
4.5
|
8.9
|
1.0
|
|
HD1
|
C:TYR108
|
4.5
|
10.5
|
1.0
|
|
C06
|
C:KEI601
|
4.6
|
14.5
|
1.0
|
|
O
|
C:HOH749
|
4.6
|
30.0
|
1.0
|
|
CD2
|
C:TYR108
|
4.6
|
10.5
|
1.0
|
|
HE2
|
C:PHE88
|
4.6
|
14.1
|
1.0
|
|
HD12
|
C:ILE310
|
4.7
|
11.9
|
1.0
|
|
H051
|
C:KEI601
|
4.7
|
14.5
|
1.0
|
|
H011
|
C:KEI601
|
4.8
|
14.5
|
1.0
|
|
HD2
|
C:TYR108
|
4.8
|
10.5
|
1.0
|
|
HZ2
|
C:LYS110
|
4.9
|
14.8
|
1.0
|
|
HG13
|
C:ILE310
|
4.9
|
11.9
|
1.0
|
|
CE1
|
C:TYR108
|
4.9
|
10.5
|
1.0
|
|
C09
|
C:KEI601
|
4.9
|
14.5
|
1.0
|
|
HB
|
C:ILE310
|
5.0
|
11.9
|
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
|
