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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:

Zinc (Zn) 6 atoms
Sodium (Na) 1 atom

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: Sun Jul 13 14:31:31 2025

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