Chlorine in PDB 5hcj: Cationic Ligand-Gated Ion Channel

The structure of Cationic Ligand-Gated Ion Channel, PDB code: 5hcj was solved by A.Shahsavar, L.Sauguet, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.944, 133.372, 159.337, 90.00, 102.34, 90.00
R / Rfree (%)	21.4 / 21.9

The structure of Cationic Ligand-Gated Ion Channel also contains other interesting chemical elements:

Bromine	(Br)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Cationic Ligand-Gated Ion Channel (pdb code 5hcj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Cationic Ligand-Gated Ion Channel, PDB code: 5hcj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Cationic Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cationic Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:85.0 occ:1.00 NH1 A:ARG85 3.2 1.0 1.0 N A:PHE78 3.3 82.2 1.0 N A:ARG85 3.6 92.8 1.0 CD2 A:PHE78 3.7 89.4 1.0 CG A:ARG85 3.7 95.8 1.0 CB A:PHE78 3.9 84.3 1.0 CA A:ARG77 3.9 82.2 1.0 C A:ARG77 4.0 85.3 1.0 CA A:ALA84 4.1 93.0 1.0 CG A:PHE78 4.1 86.4 1.0 CD A:ARG85 4.1 0.3 1.0 CB A:ARG85 4.1 91.0 1.0 CA A:PHE78 4.2 82.4 1.0 CZ A:ARG85 4.2 0.4 1.0 CG2 A:VAL81 4.3 90.0 1.0 CB A:ARG77 4.3 81.5 1.0 C A:ALA84 4.3 96.7 1.0 CB A:ALA84 4.4 94.1 1.0 O A:PHE78 4.5 86.1 1.0 CA A:ARG85 4.5 92.6 1.0 CE2 A:PHE78 4.6 93.0 1.0 NE A:ARG85 4.6 0.2 1.0 O A:ILE76 4.8 90.7 1.0 C A:PHE78 4.9 87.0 1.0 CG A:ARG77 4.9 93.5 1.0

Chlorine binding site 2 out of 5 in the Cationic Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cationic Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:88.4 occ:1.00 NH1 B:ARG85 3.4 86.2 1.0 N B:PHE78 3.4 76.7 1.0 N B:ARG85 3.5 94.8 1.0 CA B:ALA84 3.7 95.3 1.0 CG B:ARG85 3.8 94.7 1.0 CD2 B:PHE78 3.9 81.2 1.0 CB B:PHE78 4.0 76.5 1.0 CA B:ARG77 4.0 80.7 1.0 CB B:ALA84 4.1 96.5 1.0 C B:ALA84 4.1 99.5 1.0 CG2 B:VAL81 4.1 84.1 1.0 C B:ARG77 4.2 82.1 1.0 CB B:ARG85 4.2 91.7 1.0 CG B:PHE78 4.2 78.1 1.0 CA B:PHE78 4.3 75.6 1.0 CD B:ARG85 4.3 98.7 1.0 CB B:ARG77 4.4 81.5 1.0 CZ B:ARG85 4.4 0.8 1.0 O B:PHE78 4.5 80.2 1.0 CA B:ARG85 4.5 94.1 1.0 CE2 B:PHE78 4.8 84.5 1.0 NE B:ARG85 4.8 94.3 1.0 C B:PHE78 4.9 80.9 1.0 N B:ALA84 4.9 96.2 1.0 CG B:ARG77 5.0 91.0 1.0

Chlorine binding site 3 out of 5 in the Cationic Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cationic Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:93.8 occ:1.00 N C:PHE78 3.4 82.2 1.0 NH1 C:ARG85 3.4 93.0 1.0 N C:ARG85 3.5 97.2 1.0 CA C:ALA84 3.8 98.9 1.0 CG C:ARG85 3.8 92.0 1.0 CD2 C:PHE78 3.9 88.4 1.0 CB C:PHE78 4.0 82.9 1.0 CA C:ARG77 4.0 84.3 1.0 CB C:ALA84 4.1 0.1 1.0 CG2 C:VAL81 4.2 88.0 1.0 C C:ARG77 4.2 86.5 1.0 C C:ALA84 4.2 0.7 1.0 CB C:ARG85 4.2 93.5 1.0 CG C:PHE78 4.2 85.0 1.0 CA C:PHE78 4.3 81.4 1.0 CD C:ARG85 4.3 99.0 1.0 CB C:ARG77 4.4 84.2 1.0 O C:PHE78 4.4 86.5 1.0 CA C:ARG85 4.5 96.4 1.0 CZ C:ARG85 4.5 0.7 1.0 CE2 C:PHE78 4.8 91.8 1.0 NE C:ARG85 4.8 94.7 1.0 C C:PHE78 4.9 85.7 1.0 CG C:ARG77 4.9 91.0 1.0 N C:ALA84 5.0 99.5 1.0

Chlorine binding site 4 out of 5 in the Cationic Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cationic Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:80.1 occ:1.00 N D:PHE78 3.3 82.2 1.0 NH1 D:ARG85 3.4 93.0 1.0 N D:ARG85 3.6 95.5 1.0 CA D:ALA84 3.8 96.1 1.0 CA D:ARG77 3.9 80.9 1.0 CD2 D:PHE78 4.0 89.6 1.0 CG D:ARG85 4.0 97.2 1.0 CB D:PHE78 4.0 84.0 1.0 C D:ARG77 4.1 85.7 1.0 CB D:ALA84 4.1 97.5 1.0 CB D:ARG77 4.2 79.9 1.0 CG2 D:VAL81 4.2 86.4 1.0 CA D:PHE78 4.2 82.0 1.0 C D:ALA84 4.3 0.6 1.0 CG D:PHE78 4.3 86.5 1.0 O D:PHE78 4.4 86.6 1.0 CB D:ARG85 4.4 93.3 1.0 CD D:ARG85 4.4 0.1 1.0 CZ D:ARG85 4.5 0.7 1.0 CA D:ARG85 4.7 94.9 1.0 CG D:ARG77 4.7 90.1 1.0 C D:PHE78 4.8 86.3 1.0 NE D:ARG85 4.9 99.2 1.0 CE2 D:PHE78 4.9 92.7 1.0 O D:ILE76 4.9 88.7 1.0

Chlorine binding site 5 out of 5 in the Cationic Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Cationic Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:90.9 occ:1.00 O E:HOH512 2.9 90.6 1.0 NH1 E:ARG85 3.3 99.0 1.0 N E:ARG85 3.3 0.9 1.0 N E:PHE78 3.5 83.5 1.0 CG E:ARG85 3.6 0.4 1.0 CD2 E:PHE78 3.7 91.0 1.0 CA E:ALA84 3.8 0.6 1.0 CB E:PHE78 3.9 84.6 1.0 CB E:ARG85 3.9 98.8 1.0 CD E:ARG85 4.0 0.3 1.0 CG E:PHE78 4.1 87.2 1.0 C E:ALA84 4.1 0.5 1.0 CG2 E:VAL81 4.1 94.7 1.0 CA E:ARG77 4.2 85.7 1.0 CB E:ALA84 4.2 0.1 1.0 CA E:ARG85 4.3 0.4 1.0 C E:ARG77 4.3 87.8 1.0 CA E:PHE78 4.3 83.0 1.0 CZ E:ARG85 4.3 1.0 1.0 CE2 E:PHE78 4.6 93.9 1.0 O E:PHE78 4.6 87.3 1.0 CB E:ARG77 4.6 87.4 1.0 NE E:ARG85 4.6 0.6 1.0 C E:PHE78 5.0 87.4 1.0 N E:ALA84 5.0 0.3 1.0

B.Laurent, S.Murail, A.Shahsavar, L.Sauguet, M.Delarue, M.Baaden. Sites of Anesthetic Inhibitory Action on A Cationic Ligand-Gated Ion Channel. Structure V. 24 595 2016.
ISSN: ISSN 0969-2126
PubMed: 27021161
DOI: 10.1016/J.STR.2016.02.014