Chlorine in PDB 8tr7: Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977

Other elements in 8tr7:

The structure of Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977 also contains other interesting chemical elements:

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

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 A839977 (pdb code 8tr7). 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 A839977, PDB code: 8tr7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 8tr7

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Chlorine binding site 1 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977


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 A839977 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:25.1
occ:1.00
CL01 A:KDU601 0.0 25.1 1.0
C02 A:KDU601 1.8 25.1 1.0
C08 A:KDU601 2.7 25.1 1.0
C03 A:KDU601 2.7 25.1 1.0
N09 A:KDU601 3.1 25.1 1.0
HG21 A:ILE310 3.1 23.5 1.0
HB2 A:ALA312 3.2 19.7 1.0
CL04 A:KDU601 3.2 25.1 1.0
N10 A:KDU601 3.5 25.1 1.0
HD12 A:ILE310 3.5 23.5 1.0
HB A:ILE310 3.6 23.5 1.0
SD A:MET105 3.6 20.4 1.0
HG22 A:ILE310 3.6 23.5 1.0
CG2 A:ILE310 3.8 23.5 1.0
HD13 A:ILE310 3.8 23.5 1.0
C13 A:KDU601 3.9 25.1 1.0
H171 A:KDU601 3.9 25.1 1.0
CB A:ALA312 4.0 19.7 1.0
C07 A:KDU601 4.0 25.1 1.0
C05 A:KDU601 4.1 25.1 1.0
CD1 A:ILE310 4.1 23.5 1.0
HB1 A:ALA312 4.1 19.7 1.0
CB A:ILE310 4.1 23.5 1.0
HE1 A:MET105 4.2 20.4 1.0
H141 A:KDU601 4.3 25.1 1.0
HB3 A:ALA312 4.3 19.7 1.0
HB3 A:TYR295 4.3 24.6 1.0
N11 A:KDU601 4.4 25.1 1.0
N14 A:KDU601 4.4 25.1 1.0
CE A:MET105 4.4 20.4 1.0
C06 A:KDU601 4.6 25.1 1.0
N12 A:KDU601 4.6 25.1 1.0
HG23 A:ILE310 4.6 23.5 1.0
HE2 A:MET105 4.6 20.4 1.0
HE1 A:PHE293 4.7 20.7 1.0
CG1 A:ILE310 4.7 23.5 1.0
HD2 A:TYR295 4.7 24.6 1.0
C17 A:KDU601 4.9 25.1 1.0
HD11 A:ILE310 4.9 23.5 1.0
H051 A:KDU601 4.9 25.1 1.0
H071 A:KDU601 4.9 25.1 1.0
HZ A:PHE293 5.0 20.7 1.0

Chlorine binding site 2 out of 6 in 8tr7

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Chlorine binding site 2 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977


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 A839977 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:25.1
occ:1.00
CL04 A:KDU601 0.0 25.1 1.0
C03 A:KDU601 1.8 25.1 1.0
HE2 A:PHE103 2.6 17.8 1.0
HZ A:PHE293 2.6 20.7 1.0
C05 A:KDU601 2.7 25.1 1.0
C02 A:KDU601 2.8 25.1 1.0
H051 A:KDU601 2.9 25.1 1.0
HB1 A:ALA312 3.1 19.7 1.0
HB2 A:MET105 3.2 20.4 1.0
CL01 A:KDU601 3.2 25.1 1.0
CZ A:PHE293 3.3 20.7 1.0
CE2 A:PHE103 3.4 17.8 1.0
HB2 A:ALA312 3.4 19.7 1.0
HB3 A:ALA312 3.4 19.7 1.0
CB A:ALA312 3.5 19.7 1.0
SD A:MET105 3.6 20.4 1.0
HE1 A:PHE293 3.9 20.7 1.0
HD2 A:PHE103 3.9 17.8 1.0
HD21 A:LEU95 3.9 22.9 1.0
CE1 A:PHE293 4.0 20.7 1.0
HG3 A:MET105 4.0 20.4 1.0
CB A:MET105 4.0 20.4 1.0
C06 A:KDU601 4.0 25.1 1.0
CD2 A:PHE103 4.1 17.8 1.0
C08 A:KDU601 4.1 25.1 1.0
CE2 A:PHE293 4.1 20.7 1.0
CG A:MET105 4.1 20.4 1.0
HE2 A:PHE293 4.1 20.7 1.0
HZ A:PHE103 4.2 17.8 1.0
CZ A:PHE103 4.3 17.8 1.0
HA A:TYR93 4.5 20.4 1.0
HB3 A:MET105 4.5 20.4 1.0
HG A:LEU95 4.6 22.9 1.0
C07 A:KDU601 4.6 25.1 1.0
HD23 A:LEU95 4.6 22.9 1.0
CD2 A:LEU95 4.7 22.9 1.0
HE2 A:MET105 4.7 20.4 1.0
O A:TYR93 4.8 20.4 1.0
CE A:MET105 4.9 20.4 1.0
H061 A:KDU601 4.9 25.1 1.0
CA A:ALA312 5.0 19.7 1.0

Chlorine binding site 3 out of 6 in 8tr7

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Chlorine binding site 3 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977


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 A839977 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:25.1
occ:1.00
CL01 B:KDU601 0.0 25.1 1.0
C02 B:KDU601 1.8 25.1 1.0
C08 B:KDU601 2.7 25.1 1.0
C03 B:KDU601 2.7 25.1 1.0
N09 B:KDU601 3.1 25.1 1.0
HG21 B:ILE310 3.1 23.5 1.0
HB2 B:ALA312 3.2 19.7 1.0
CL04 B:KDU601 3.2 25.1 1.0
N10 B:KDU601 3.5 25.1 1.0
HD12 B:ILE310 3.5 23.5 1.0
HB B:ILE310 3.6 23.5 1.0
SD B:MET105 3.6 20.4 1.0
HG22 B:ILE310 3.6 23.5 1.0
CG2 B:ILE310 3.8 23.5 1.0
HD13 B:ILE310 3.8 23.5 1.0
C13 B:KDU601 3.9 25.1 1.0
H171 B:KDU601 3.9 25.1 1.0
CB B:ALA312 4.0 19.7 1.0
C07 B:KDU601 4.0 25.1 1.0
C05 B:KDU601 4.1 25.1 1.0
CD1 B:ILE310 4.1 23.5 1.0
HB1 B:ALA312 4.1 19.7 1.0
CB B:ILE310 4.1 23.5 1.0
HE1 B:MET105 4.2 20.4 1.0
H141 B:KDU601 4.3 25.1 1.0
HB3 B:ALA312 4.3 19.7 1.0
HB3 B:TYR295 4.3 24.6 1.0
N11 B:KDU601 4.4 25.1 1.0
N14 B:KDU601 4.4 25.1 1.0
CE B:MET105 4.4 20.4 1.0
C06 B:KDU601 4.6 25.1 1.0
N12 B:KDU601 4.6 25.1 1.0
HG23 B:ILE310 4.6 23.5 1.0
HE2 B:MET105 4.6 20.4 1.0
HE1 B:PHE293 4.7 20.7 1.0
CG1 B:ILE310 4.7 23.5 1.0
HD2 B:TYR295 4.7 24.6 1.0
C17 B:KDU601 4.9 25.1 1.0
HD11 B:ILE310 4.9 23.5 1.0
H051 B:KDU601 4.9 25.1 1.0
H071 B:KDU601 4.9 25.1 1.0
HZ B:PHE293 5.0 20.7 1.0

Chlorine binding site 4 out of 6 in 8tr7

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Chlorine binding site 4 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977


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 A839977 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:25.1
occ:1.00
CL04 B:KDU601 0.0 25.1 1.0
C03 B:KDU601 1.8 25.1 1.0
HE2 B:PHE103 2.6 17.8 1.0
HZ B:PHE293 2.6 20.7 1.0
C05 B:KDU601 2.7 25.1 1.0
C02 B:KDU601 2.8 25.1 1.0
H051 B:KDU601 2.9 25.1 1.0
HB1 B:ALA312 3.1 19.7 1.0
CL01 B:KDU601 3.2 25.1 1.0
HB2 B:MET105 3.2 20.4 1.0
CZ B:PHE293 3.3 20.7 1.0
CE2 B:PHE103 3.4 17.8 1.0
HB2 B:ALA312 3.4 19.7 1.0
HB3 B:ALA312 3.4 19.7 1.0
CB B:ALA312 3.5 19.7 1.0
SD B:MET105 3.6 20.4 1.0
HE1 B:PHE293 3.9 20.7 1.0
HD2 B:PHE103 3.9 17.8 1.0
HD21 B:LEU95 3.9 22.9 1.0
CE1 B:PHE293 4.0 20.7 1.0
HG3 B:MET105 4.0 20.4 1.0
CB B:MET105 4.0 20.4 1.0
C06 B:KDU601 4.0 25.1 1.0
CD2 B:PHE103 4.1 17.8 1.0
C08 B:KDU601 4.1 25.1 1.0
CE2 B:PHE293 4.1 20.7 1.0
CG B:MET105 4.1 20.4 1.0
HE2 B:PHE293 4.1 20.7 1.0
HZ B:PHE103 4.2 17.8 1.0
CZ B:PHE103 4.3 17.8 1.0
HA B:TYR93 4.5 20.4 1.0
HB3 B:MET105 4.5 20.4 1.0
HG B:LEU95 4.6 22.9 1.0
C07 B:KDU601 4.6 25.1 1.0
HD23 B:LEU95 4.6 22.9 1.0
CD2 B:LEU95 4.7 22.9 1.0
HE2 B:MET105 4.7 20.4 1.0
O B:TYR93 4.8 20.4 1.0
CE B:MET105 4.9 20.4 1.0
H061 B:KDU601 4.9 25.1 1.0
CA B:ALA312 5.0 19.7 1.0

Chlorine binding site 5 out of 6 in 8tr7

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Chlorine binding site 5 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977


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 A839977 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl601

b:25.1
occ:1.00
CL01 C:KDU601 0.0 25.1 1.0
C02 C:KDU601 1.8 25.1 1.0
C08 C:KDU601 2.7 25.1 1.0
C03 C:KDU601 2.7 25.1 1.0
N09 C:KDU601 3.1 25.1 1.0
HG21 C:ILE310 3.1 23.5 1.0
HB2 C:ALA312 3.2 19.7 1.0
CL04 C:KDU601 3.2 25.1 1.0
N10 C:KDU601 3.5 25.1 1.0
HD12 C:ILE310 3.5 23.5 1.0
HB C:ILE310 3.6 23.5 1.0
SD C:MET105 3.6 20.4 1.0
HG22 C:ILE310 3.6 23.5 1.0
CG2 C:ILE310 3.8 23.5 1.0
HD13 C:ILE310 3.8 23.5 1.0
C13 C:KDU601 3.9 25.1 1.0
H171 C:KDU601 3.9 25.1 1.0
CB C:ALA312 4.0 19.7 1.0
C07 C:KDU601 4.0 25.1 1.0
C05 C:KDU601 4.1 25.1 1.0
CD1 C:ILE310 4.1 23.5 1.0
HB1 C:ALA312 4.1 19.7 1.0
CB C:ILE310 4.1 23.5 1.0
HE1 C:MET105 4.2 20.4 1.0
H141 C:KDU601 4.3 25.1 1.0
HB3 C:ALA312 4.3 19.7 1.0
HB3 C:TYR295 4.3 24.6 1.0
N11 C:KDU601 4.4 25.1 1.0
N14 C:KDU601 4.4 25.1 1.0
CE C:MET105 4.4 20.4 1.0
C06 C:KDU601 4.6 25.1 1.0
N12 C:KDU601 4.6 25.1 1.0
HG23 C:ILE310 4.6 23.5 1.0
HE2 C:MET105 4.6 20.4 1.0
HE1 C:PHE293 4.7 20.7 1.0
CG1 C:ILE310 4.7 23.5 1.0
HD2 C:TYR295 4.7 24.6 1.0
C17 C:KDU601 4.9 25.1 1.0
HD11 C:ILE310 4.9 23.5 1.0
H071 C:KDU601 4.9 25.1 1.0
H051 C:KDU601 4.9 25.1 1.0
HZ C:PHE293 5.0 20.7 1.0

Chlorine binding site 6 out of 6 in 8tr7

Go back to Chlorine Binding Sites List in 8tr7
Chlorine binding site 6 out of 6 in the Cryo-Em Structure of the Rat P2X7 Receptor in Complex with the Allosteric Antagonist A839977


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 A839977 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl601

b:25.1
occ:1.00
CL04 C:KDU601 0.0 25.1 1.0
C03 C:KDU601 1.8 25.1 1.0
HE2 C:PHE103 2.6 17.8 1.0
HZ C:PHE293 2.6 20.7 1.0
C05 C:KDU601 2.7 25.1 1.0
C02 C:KDU601 2.8 25.1 1.0
H051 C:KDU601 2.9 25.1 1.0
HB1 C:ALA312 3.1 19.7 1.0
HB2 C:MET105 3.2 20.4 1.0
CL01 C:KDU601 3.2 25.1 1.0
CZ C:PHE293 3.3 20.7 1.0
CE2 C:PHE103 3.4 17.8 1.0
HB2 C:ALA312 3.4 19.7 1.0
HB3 C:ALA312 3.4 19.7 1.0
CB C:ALA312 3.5 19.7 1.0
SD C:MET105 3.6 20.4 1.0
HE1 C:PHE293 3.9 20.7 1.0
HD2 C:PHE103 3.9 17.8 1.0
HD21 C:LEU95 3.9 22.9 1.0
CE1 C:PHE293 4.0 20.7 1.0
HG3 C:MET105 4.0 20.4 1.0
CB C:MET105 4.0 20.4 1.0
C06 C:KDU601 4.0 25.1 1.0
CD2 C:PHE103 4.1 17.8 1.0
C08 C:KDU601 4.1 25.1 1.0
CE2 C:PHE293 4.1 20.7 1.0
CG C:MET105 4.1 20.4 1.0
HE2 C:PHE293 4.1 20.7 1.0
HZ C:PHE103 4.2 17.8 1.0
CZ C:PHE103 4.3 17.8 1.0
HA C:TYR93 4.5 20.4 1.0
HB3 C:MET105 4.5 20.4 1.0
HG C:LEU95 4.6 22.9 1.0
C07 C:KDU601 4.6 25.1 1.0
HD23 C:LEU95 4.6 22.9 1.0
CD2 C:LEU95 4.7 22.9 1.0
HE2 C:MET105 4.7 20.4 1.0
O C:TYR93 4.8 20.4 1.0
CE C:MET105 4.9 20.4 1.0
H061 C:KDU601 4.9 25.1 1.0
CA C:ALA312 5.0 19.7 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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