Chlorine in PDB 8tra: Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160

The structure of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist GSK1482160 also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Fluorine	(F)	9 atoms
Zinc	(Zn)	6 atoms

The binding sites of Chlorine 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 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 GSK1482160, PDB code: 8tra:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 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 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 GSK1482160 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:17.8 occ:1.00 CL01 A:KF0601 0.0 17.8 1.0 C17 A:KF0601 1.9 17.8 1.0 C16 A:KF0601 2.8 17.8 1.0 H152 A:KF0601 2.8 17.8 1.0 C19 A:KF0601 2.8 17.8 1.0 HE2 A:MET105 2.9 12.5 1.0 F04 A:KF0601 3.1 17.8 1.0 C15 A:KF0601 3.1 17.8 1.0 C22 A:KF0601 3.2 17.8 1.0 F03 A:KF0601 3.3 17.8 1.0 HE3 A:MET105 3.3 12.5 1.0 N08 A:KF0601 3.4 17.8 1.0 CE A:MET105 3.4 12.5 1.0 HG21 A:ILE310 3.4 15.5 1.0 HE1 A:MET105 3.5 12.5 1.0 H081 A:KF0601 3.6 17.8 1.0 HB3 A:TYR295 3.8 16.9 1.0 HB2 A:ALA312 3.9 11.0 1.0 HG13 A:ILE310 3.9 15.5 1.0 HB A:ILE310 4.0 15.5 1.0 C13 A:KF0601 4.0 17.8 1.0 CD1 A:TYR295 4.0 16.9 1.0 HD1 A:TYR295 4.1 16.9 1.0 CG A:TYR295 4.1 16.9 1.0 O A:ASP92 4.1 15.7 1.0 C18 A:KF0601 4.1 17.8 1.0 C21 A:KF0601 4.2 17.8 1.0 CG2 A:ILE310 4.2 15.5 1.0 H151 A:KF0601 4.2 17.8 1.0 O06 A:KF0601 4.3 17.8 1.0 CB A:TYR295 4.3 16.9 1.0 HG22 A:ILE310 4.3 15.5 1.0 HB2 A:TYR295 4.4 16.9 1.0 CB A:ILE310 4.5 15.5 1.0 CE1 A:TYR295 4.5 16.9 1.0 F02 A:KF0601 4.5 17.8 1.0 CD2 A:TYR295 4.6 16.9 1.0 H091 A:KF0601 4.6 17.8 1.0 CB A:ALA312 4.7 11.0 1.0 CG1 A:ILE310 4.7 15.5 1.0 C20 A:KF0601 4.7 17.8 1.0 H143 A:KF0601 4.7 17.8 1.0 HA A:TYR93 4.7 13.0 1.0 HB1 A:ALA312 4.8 11.0 1.0 HB3 A:ALA312 4.8 11.0 1.0 HE1 A:TYR295 4.8 16.9 1.0 HG3 A:MET105 4.9 12.5 1.0 C09 A:KF0601 5.0 17.8 1.0 CZ A:TYR295 5.0 16.9 1.0 HD2 A:TYR295 5.0 16.9 1.0 HG23 A:ILE310 5.0 15.5 1.0

Chlorine binding site 2 out of 3 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 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 GSK1482160 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:17.8 occ:1.00 CL01 B:KF0601 0.0 17.8 1.0 C17 B:KF0601 1.9 17.8 1.0 C16 B:KF0601 2.8 17.8 1.0 H152 B:KF0601 2.8 17.8 1.0 C19 B:KF0601 2.8 17.8 1.0 HE2 B:MET105 2.9 12.5 1.0 F04 B:KF0601 3.1 17.8 1.0 C15 B:KF0601 3.1 17.8 1.0 C22 B:KF0601 3.2 17.8 1.0 F03 B:KF0601 3.3 17.8 1.0 HE3 B:MET105 3.3 12.5 1.0 N08 B:KF0601 3.4 17.8 1.0 CE B:MET105 3.4 12.5 1.0 HG21 B:ILE310 3.4 15.5 1.0 HE1 B:MET105 3.5 12.5 1.0 H081 B:KF0601 3.6 17.8 1.0 HB3 B:TYR295 3.8 16.9 1.0 HB2 B:ALA312 3.9 11.0 1.0 HG13 B:ILE310 3.9 15.5 1.0 HB B:ILE310 4.0 15.5 1.0 C13 B:KF0601 4.0 17.8 1.0 CD1 B:TYR295 4.0 16.9 1.0 HD1 B:TYR295 4.1 16.9 1.0 CG B:TYR295 4.1 16.9 1.0 O B:ASP92 4.1 15.7 1.0 C18 B:KF0601 4.1 17.8 1.0 C21 B:KF0601 4.2 17.8 1.0 CG2 B:ILE310 4.2 15.5 1.0 H151 B:KF0601 4.2 17.8 1.0 O06 B:KF0601 4.3 17.8 1.0 CB B:TYR295 4.3 16.9 1.0 HG22 B:ILE310 4.3 15.5 1.0 HB2 B:TYR295 4.4 16.9 1.0 CB B:ILE310 4.5 15.5 1.0 CE1 B:TYR295 4.5 16.9 1.0 F02 B:KF0601 4.5 17.8 1.0 CD2 B:TYR295 4.6 16.9 1.0 H091 B:KF0601 4.6 17.8 1.0 CB B:ALA312 4.7 11.0 1.0 CG1 B:ILE310 4.7 15.5 1.0 C20 B:KF0601 4.7 17.8 1.0 H143 B:KF0601 4.7 17.8 1.0 HA B:TYR93 4.7 13.0 1.0 HB1 B:ALA312 4.8 11.0 1.0 HB3 B:ALA312 4.8 11.0 1.0 HE1 B:TYR295 4.8 16.9 1.0 HG3 B:MET105 4.9 12.5 1.0 C09 B:KF0601 5.0 17.8 1.0 CZ B:TYR295 5.0 16.9 1.0 HD2 B:TYR295 5.0 16.9 1.0 HG23 B:ILE310 5.0 15.5 1.0

Chlorine binding site 3 out of 3 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 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 GSK1482160 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:17.8 occ:1.00 CL01 C:KF0601 0.0 17.8 1.0 C17 C:KF0601 1.9 17.8 1.0 C16 C:KF0601 2.8 17.8 1.0 H152 C:KF0601 2.8 17.8 1.0 C19 C:KF0601 2.8 17.8 1.0 HE2 C:MET105 2.9 12.5 1.0 F04 C:KF0601 3.1 17.8 1.0 C15 C:KF0601 3.1 17.8 1.0 C22 C:KF0601 3.2 17.8 1.0 F03 C:KF0601 3.3 17.8 1.0 HE3 C:MET105 3.3 12.5 1.0 N08 C:KF0601 3.4 17.8 1.0 CE C:MET105 3.4 12.5 1.0 HG21 C:ILE310 3.4 15.5 1.0 HE1 C:MET105 3.5 12.5 1.0 H081 C:KF0601 3.6 17.8 1.0 HB3 C:TYR295 3.8 16.9 1.0 HB2 C:ALA312 3.9 11.0 1.0 HG13 C:ILE310 3.9 15.5 1.0 HB C:ILE310 4.0 15.5 1.0 C13 C:KF0601 4.0 17.8 1.0 CD1 C:TYR295 4.0 16.9 1.0 HD1 C:TYR295 4.1 16.9 1.0 CG C:TYR295 4.1 16.9 1.0 O C:ASP92 4.1 15.7 1.0 C18 C:KF0601 4.1 17.8 1.0 C21 C:KF0601 4.2 17.8 1.0 CG2 C:ILE310 4.2 15.5 1.0 H151 C:KF0601 4.2 17.8 1.0 O06 C:KF0601 4.3 17.8 1.0 CB C:TYR295 4.3 16.9 1.0 HG22 C:ILE310 4.3 15.5 1.0 HB2 C:TYR295 4.4 16.9 1.0 CB C:ILE310 4.5 15.5 1.0 CE1 C:TYR295 4.5 16.9 1.0 F02 C:KF0601 4.5 17.8 1.0 CD2 C:TYR295 4.6 16.9 1.0 H091 C:KF0601 4.6 17.8 1.0 CB C:ALA312 4.7 11.0 1.0 CG1 C:ILE310 4.7 15.5 1.0 C20 C:KF0601 4.7 17.8 1.0 H143 C:KF0601 4.7 17.8 1.0 HA C:TYR93 4.7 13.0 1.0 HB1 C:ALA312 4.8 11.0 1.0 HB3 C:ALA312 4.8 11.0 1.0 HE1 C:TYR295 4.8 16.9 1.0 HG3 C:MET105 4.9 12.5 1.0 C09 C:KF0601 5.0 17.8 1.0 CZ C:TYR295 5.0 16.9 1.0 HD2 C:TYR295 5.0 16.9 1.0 HG23 C:ILE310 5.0 15.5 1.0

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