Chlorine in PDB 8tr6: Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A438079

The structure of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A438079 also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A438079 (pdb code 8tr6). 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 A438079, PDB code: 8tr6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A438079


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 A438079 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:5.6 occ:1.00 CL1 A:KE3601 0.0 5.6 1.0 C2 A:KE3601 1.8 5.6 1.0 C3 A:KE3601 2.7 5.6 1.0 HZ A:PHE293 2.8 3.4 1.0 C1 A:KE3601 2.8 5.6 1.0 H1 A:KE3601 2.9 5.6 1.0 HE1 A:PHE293 3.0 3.4 1.0 HB2 A:ALA312 3.0 3.3 1.0 HE2 A:PHE103 3.0 2.3 1.0 HB1 A:ALA312 3.0 3.3 1.0 HB3 A:ALA312 3.1 3.3 1.0 CL2 A:KE3601 3.2 5.6 1.0 CB A:ALA312 3.2 3.3 1.0 CZ A:PHE293 3.2 3.4 1.0 CE1 A:PHE293 3.4 3.4 1.0 CE2 A:PHE103 3.8 2.3 1.0 HD21 A:LEU95 3.8 5.6 1.0 HB2 A:MET105 3.9 3.3 1.0 HG3 A:MET105 3.9 3.3 1.0 SD A:MET105 4.0 3.3 1.0 C4 A:KE3601 4.0 5.6 1.0 C6 A:KE3601 4.0 5.6 1.0 HD2 A:PHE103 4.3 2.3 1.0 CG A:MET105 4.3 3.3 1.0 CE2 A:PHE293 4.4 3.4 1.0 H10 A:KE3601 4.4 5.6 1.0 CD2 A:PHE103 4.5 2.3 1.0 HZ A:PHE103 4.5 2.3 1.0 CD1 A:PHE293 4.5 3.4 1.0 C5 A:KE3601 4.6 5.6 1.0 CZ A:PHE103 4.6 2.3 1.0 CB A:MET105 4.6 3.3 1.0 CD2 A:LEU95 4.7 5.6 1.0 HG22 A:ILE310 4.7 4.2 1.0 HE2 A:PHE293 4.7 3.4 1.0 CA A:ALA312 4.7 3.3 1.0 HD23 A:LEU95 4.7 5.6 1.0 HA A:TYR93 4.7 0.6 1.0 HB2 A:TYR295 4.9 4.5 1.0 HG A:LEU95 4.9 5.6 1.0 H2 A:KE3601 4.9 5.6 1.0 HD1 A:PHE293 4.9 3.4 1.0

Chlorine binding site 2 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A438079


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 A438079 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:5.6 occ:1.00 CL2 A:KE3601 0.0 5.6 1.0 C1 A:KE3601 1.8 5.6 1.0 H10 A:KE3601 2.7 5.6 1.0 C2 A:KE3601 2.8 5.6 1.0 C6 A:KE3601 2.8 5.6 1.0 HD13 A:ILE310 3.1 4.2 1.0 N4 A:KE3601 3.1 5.6 1.0 C7 A:KE3601 3.2 5.6 1.0 CL1 A:KE3601 3.2 5.6 1.0 HG21 A:ILE310 3.2 4.2 1.0 N1 A:KE3601 3.2 5.6 1.0 HD2 A:TYR295 3.3 4.5 1.0 HG22 A:ILE310 3.4 4.2 1.0 HB A:ILE310 3.5 4.2 1.0 C10 A:KE3601 3.6 5.6 1.0 HB3 A:TYR295 3.6 4.5 1.0 CG2 A:ILE310 3.6 4.2 1.0 HD12 A:ILE310 3.7 4.2 1.0 N2 A:KE3601 3.7 5.6 1.0 HB2 A:ALA312 3.8 3.3 1.0 CD1 A:ILE310 3.8 4.2 1.0 N3 A:KE3601 3.8 5.6 1.0 H7 A:KE3601 3.9 5.6 1.0 CD2 A:TYR295 4.0 4.5 1.0 C8 A:KE3601 4.0 5.6 1.0 CB A:ILE310 4.0 4.2 1.0 C3 A:KE3601 4.1 5.6 1.0 C5 A:KE3601 4.1 5.6 1.0 H5 A:KE3601 4.1 5.6 1.0 H9 A:KE3601 4.2 5.6 1.0 C9 A:KE3601 4.2 5.6 1.0 H4 A:KE3601 4.2 5.6 1.0 CB A:TYR295 4.3 4.5 1.0 HB2 A:TYR295 4.4 4.5 1.0 N5 A:KE3601 4.4 5.6 1.0 CG1 A:ILE310 4.5 4.2 1.0 CG A:TYR295 4.5 4.5 1.0 HD11 A:ILE310 4.5 4.2 1.0 HG23 A:ILE310 4.6 4.2 1.0 HE1 A:PHE293 4.6 3.4 1.0 C4 A:KE3601 4.6 5.6 1.0 SD A:MET105 4.6 3.3 1.0 CB A:ALA312 4.6 3.3 1.0 H6 A:KE3601 4.7 5.6 1.0 HB3 A:ALA312 4.8 3.3 1.0 HB1 A:ALA312 4.9 3.3 1.0 CE2 A:TYR295 4.9 4.5 1.0 HE2 A:TYR295 4.9 4.5 1.0 H1 A:KE3601 4.9 5.6 1.0 H3 A:KE3601 4.9 5.6 1.0 H8 A:KE3601 4.9 5.6 1.0 HG12 A:ILE310 5.0 4.2 1.0

Chlorine binding site 3 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A438079


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 A438079 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:5.6 occ:1.00 CL1 B:KE3601 0.0 5.6 1.0 C2 B:KE3601 1.8 5.6 1.0 C3 B:KE3601 2.7 5.6 1.0 HZ B:PHE293 2.8 3.4 1.0 C1 B:KE3601 2.8 5.6 1.0 H1 B:KE3601 2.9 5.6 1.0 HE1 B:PHE293 3.0 3.4 1.0 HB2 B:ALA312 3.0 3.3 1.0 HE2 B:PHE103 3.0 2.3 1.0 HB1 B:ALA312 3.0 3.3 1.0 HB3 B:ALA312 3.1 3.3 1.0 CL2 B:KE3601 3.2 5.6 1.0 CB B:ALA312 3.2 3.3 1.0 CZ B:PHE293 3.2 3.4 1.0 CE1 B:PHE293 3.4 3.4 1.0 CE2 B:PHE103 3.8 2.3 1.0 HD21 B:LEU95 3.8 5.6 1.0 HB2 B:MET105 3.9 3.3 1.0 HG3 B:MET105 3.9 3.3 1.0 SD B:MET105 4.0 3.3 1.0 C4 B:KE3601 4.0 5.6 1.0 C6 B:KE3601 4.0 5.6 1.0 HD2 B:PHE103 4.3 2.3 1.0 CG B:MET105 4.3 3.3 1.0 CE2 B:PHE293 4.4 3.4 1.0 H10 B:KE3601 4.4 5.6 1.0 CD2 B:PHE103 4.5 2.3 1.0 HZ B:PHE103 4.5 2.3 1.0 CD1 B:PHE293 4.5 3.4 1.0 C5 B:KE3601 4.6 5.6 1.0 CZ B:PHE103 4.6 2.3 1.0 CB B:MET105 4.6 3.3 1.0 CD2 B:LEU95 4.7 5.6 1.0 HG22 B:ILE310 4.7 4.2 1.0 HE2 B:PHE293 4.7 3.4 1.0 CA B:ALA312 4.7 3.3 1.0 HD23 B:LEU95 4.7 5.6 1.0 HA B:TYR93 4.7 0.6 1.0 HB2 B:TYR295 4.9 4.5 1.0 HG B:LEU95 4.9 5.6 1.0 H2 B:KE3601 4.9 5.6 1.0 HD1 B:PHE293 4.9 3.4 1.0

Chlorine binding site 4 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A438079


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 A438079 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:5.6 occ:1.00 CL2 B:KE3601 0.0 5.6 1.0 C1 B:KE3601 1.8 5.6 1.0 H10 B:KE3601 2.7 5.6 1.0 C2 B:KE3601 2.8 5.6 1.0 C6 B:KE3601 2.8 5.6 1.0 HD13 B:ILE310 3.1 4.2 1.0 N4 B:KE3601 3.1 5.6 1.0 C7 B:KE3601 3.2 5.6 1.0 CL1 B:KE3601 3.2 5.6 1.0 HG21 B:ILE310 3.2 4.2 1.0 N1 B:KE3601 3.2 5.6 1.0 HD2 B:TYR295 3.3 4.5 1.0 HG22 B:ILE310 3.4 4.2 1.0 HB B:ILE310 3.5 4.2 1.0 C10 B:KE3601 3.6 5.6 1.0 HB3 B:TYR295 3.6 4.5 1.0 CG2 B:ILE310 3.6 4.2 1.0 HD12 B:ILE310 3.7 4.2 1.0 N2 B:KE3601 3.7 5.6 1.0 HB2 B:ALA312 3.8 3.3 1.0 CD1 B:ILE310 3.8 4.2 1.0 N3 B:KE3601 3.8 5.6 1.0 H7 B:KE3601 3.9 5.6 1.0 CD2 B:TYR295 4.0 4.5 1.0 C8 B:KE3601 4.0 5.6 1.0 CB B:ILE310 4.0 4.2 1.0 C3 B:KE3601 4.1 5.6 1.0 C5 B:KE3601 4.1 5.6 1.0 H5 B:KE3601 4.1 5.6 1.0 H9 B:KE3601 4.2 5.6 1.0 C9 B:KE3601 4.2 5.6 1.0 H4 B:KE3601 4.2 5.6 1.0 CB B:TYR295 4.3 4.5 1.0 HB2 B:TYR295 4.4 4.5 1.0 N5 B:KE3601 4.4 5.6 1.0 CG1 B:ILE310 4.5 4.2 1.0 CG B:TYR295 4.5 4.5 1.0 HD11 B:ILE310 4.5 4.2 1.0 HG23 B:ILE310 4.6 4.2 1.0 HE1 B:PHE293 4.6 3.4 1.0 C4 B:KE3601 4.6 5.6 1.0 SD B:MET105 4.6 3.3 1.0 CB B:ALA312 4.6 3.3 1.0 H6 B:KE3601 4.7 5.6 1.0 HB3 B:ALA312 4.8 3.3 1.0 HB1 B:ALA312 4.9 3.3 1.0 CE2 B:TYR295 4.9 4.5 1.0 HE2 B:TYR295 4.9 4.5 1.0 H1 B:KE3601 4.9 5.6 1.0 H3 B:KE3601 4.9 5.6 1.0 H8 B:KE3601 4.9 5.6 1.0 HG12 B:ILE310 5.0 4.2 1.0

Chlorine binding site 5 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A438079


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 A438079 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:5.6 occ:1.00 CL1 C:KE3601 0.0 5.6 1.0 C2 C:KE3601 1.8 5.6 1.0 C3 C:KE3601 2.7 5.6 1.0 HZ C:PHE293 2.8 3.4 1.0 C1 C:KE3601 2.8 5.6 1.0 H1 C:KE3601 2.9 5.6 1.0 HE1 C:PHE293 3.0 3.4 1.0 HB2 C:ALA312 3.0 3.3 1.0 HE2 C:PHE103 3.0 2.3 1.0 HB1 C:ALA312 3.0 3.3 1.0 HB3 C:ALA312 3.1 3.3 1.0 CL2 C:KE3601 3.2 5.6 1.0 CB C:ALA312 3.2 3.3 1.0 CZ C:PHE293 3.2 3.4 1.0 CE1 C:PHE293 3.4 3.4 1.0 CE2 C:PHE103 3.8 2.3 1.0 HD21 C:LEU95 3.8 5.6 1.0 HB2 C:MET105 3.9 3.3 1.0 HG3 C:MET105 3.9 3.3 1.0 SD C:MET105 4.0 3.3 1.0 C4 C:KE3601 4.0 5.6 1.0 C6 C:KE3601 4.0 5.6 1.0 HD2 C:PHE103 4.3 2.3 1.0 CG C:MET105 4.3 3.3 1.0 CE2 C:PHE293 4.4 3.4 1.0 H10 C:KE3601 4.4 5.6 1.0 CD2 C:PHE103 4.5 2.3 1.0 HZ C:PHE103 4.5 2.3 1.0 CD1 C:PHE293 4.5 3.4 1.0 C5 C:KE3601 4.6 5.6 1.0 CZ C:PHE103 4.6 2.3 1.0 CB C:MET105 4.6 3.3 1.0 CD2 C:LEU95 4.7 5.6 1.0 HG22 C:ILE310 4.7 4.2 1.0 HE2 C:PHE293 4.7 3.4 1.0 CA C:ALA312 4.7 3.3 1.0 HD23 C:LEU95 4.7 5.6 1.0 HA C:TYR93 4.7 0.6 1.0 HB2 C:TYR295 4.9 4.5 1.0 HG C:LEU95 4.9 5.6 1.0 H2 C:KE3601 4.9 5.6 1.0 HD1 C:PHE293 4.9 3.4 1.0

Chlorine binding site 6 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A438079


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 A438079 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:5.6 occ:1.00 CL2 C:KE3601 0.0 5.6 1.0 C1 C:KE3601 1.8 5.6 1.0 H10 C:KE3601 2.7 5.6 1.0 C2 C:KE3601 2.8 5.6 1.0 C6 C:KE3601 2.8 5.6 1.0 HD13 C:ILE310 3.1 4.2 1.0 N4 C:KE3601 3.1 5.6 1.0 C7 C:KE3601 3.2 5.6 1.0 CL1 C:KE3601 3.2 5.6 1.0 HG21 C:ILE310 3.2 4.2 1.0 N1 C:KE3601 3.2 5.6 1.0 HD2 C:TYR295 3.3 4.5 1.0 HG22 C:ILE310 3.4 4.2 1.0 HB C:ILE310 3.5 4.2 1.0 C10 C:KE3601 3.6 5.6 1.0 HB3 C:TYR295 3.6 4.5 1.0 CG2 C:ILE310 3.6 4.2 1.0 HD12 C:ILE310 3.7 4.2 1.0 N2 C:KE3601 3.7 5.6 1.0 HB2 C:ALA312 3.8 3.3 1.0 CD1 C:ILE310 3.8 4.2 1.0 N3 C:KE3601 3.8 5.6 1.0 H7 C:KE3601 3.9 5.6 1.0 CD2 C:TYR295 4.0 4.5 1.0 C8 C:KE3601 4.0 5.6 1.0 CB C:ILE310 4.0 4.2 1.0 C3 C:KE3601 4.1 5.6 1.0 C5 C:KE3601 4.1 5.6 1.0 H5 C:KE3601 4.1 5.6 1.0 H9 C:KE3601 4.2 5.6 1.0 C9 C:KE3601 4.2 5.6 1.0 H4 C:KE3601 4.2 5.6 1.0 CB C:TYR295 4.3 4.5 1.0 HB2 C:TYR295 4.4 4.5 1.0 N5 C:KE3601 4.4 5.6 1.0 CG1 C:ILE310 4.5 4.2 1.0 CG C:TYR295 4.5 4.5 1.0 HD11 C:ILE310 4.5 4.2 1.0 HG23 C:ILE310 4.6 4.2 1.0 HE1 C:PHE293 4.6 3.4 1.0 C4 C:KE3601 4.6 5.6 1.0 SD C:MET105 4.6 3.3 1.0 CB C:ALA312 4.6 3.3 1.0 H6 C:KE3601 4.7 5.6 1.0 HB3 C:ALA312 4.8 3.3 1.0 HB1 C:ALA312 4.9 3.3 1.0 CE2 C:TYR295 4.9 4.5 1.0 HE2 C:TYR295 4.9 4.5 1.0 H1 C:KE3601 4.9 5.6 1.0 H3 C:KE3601 4.9 5.6 1.0 H8 C:KE3601 4.9 5.6 1.0 HG12 C:ILE310 5.0 4.2 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