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

Other elements in 8tr6:

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

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 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 8tr6

Go back to Chlorine Binding Sites List in 8tr6
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 8tr6

Go back to Chlorine Binding Sites List in 8tr6
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 8tr6

Go back to Chlorine Binding Sites List in 8tr6
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 8tr6

Go back to Chlorine Binding Sites List in 8tr6
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 8tr6

Go back to Chlorine Binding Sites List in 8tr6
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 8tr6

Go back to Chlorine Binding Sites List in 8tr6
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

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

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