Chlorine in PDB 4hfh: The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform

The structure of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform, PDB code: 4hfh was solved by L.Sauguet, R.J.Howard, L.Malherbe, U.S.Lee, P.J.Corringer, R.A.Harris, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.71 / 2.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.000, 132.650, 159.270, 90.00, 102.16, 90.00
R / Rfree (%)	20.2 / 21.3

The structure of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform also contains other interesting chemical elements:

Bromine	(Br)	45 atoms
Sodium	(Na)	5 atoms

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform (pdb code 4hfh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform, PDB code: 4hfh:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:65.6 occ:1.00 N A:PHE78 3.4 61.2 1.0 N A:ARG85 3.5 67.4 1.0 NH1 A:ARG85 3.5 63.7 1.0 CD2 A:PHE78 3.7 73.2 1.0 CB A:PHE78 3.9 64.6 1.0 CA A:ALA84 3.9 67.1 1.0 CA A:ARG77 4.1 59.2 1.0 CG A:ARG85 4.1 69.8 1.0 CG2 A:VAL81 4.1 59.1 1.0 CB A:ARG85 4.1 64.7 1.0 CA A:PHE78 4.2 61.4 1.0 C A:ARG77 4.2 63.8 1.0 C A:ALA84 4.2 72.3 1.0 CD A:ARG85 4.3 73.1 1.0 CG A:PHE78 4.3 68.9 1.0 CB A:ARG77 4.3 57.7 1.0 O A:PHE78 4.3 60.1 1.0 CB A:ALA84 4.4 68.1 1.0 CA A:ARG85 4.4 66.6 1.0 CZ A:ARG85 4.6 79.1 1.0 CG A:ARG77 4.6 64.7 1.0 CE2 A:PHE78 4.7 77.2 1.0 C A:PHE78 4.8 61.5 1.0 NE A:ARG85 4.9 75.2 1.0

Chlorine binding site 2 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:77.9 occ:1.00 N A:LEU180 3.2 59.8 1.0 OD1 A:ASN139 3.3 73.0 1.0 CB A:LEU180 3.8 59.1 1.0 CA A:ARG179 3.8 61.8 1.0 C A:ARG179 4.0 64.0 1.0 CA A:LEU180 4.1 58.8 1.0 O A:ASP178 4.2 70.1 1.0 CG A:ASN139 4.4 86.6 1.0 CB A:SER134 4.5 67.6 1.0 CD A:ARG179 4.5 78.7 1.0 CB A:ARG179 4.6 60.2 1.0 N A:ARG179 4.8 63.3 1.0 C A:ASP178 4.8 69.4 1.0 CG A:ARG179 4.9 68.0 1.0

Chlorine binding site 3 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:93.6 occ:1.00 N A:ALA175 3.6 59.0 1.0 CB A:ALA175 3.9 61.1 1.0 CA A:PHE174 4.2 59.7 1.0 C A:PHE174 4.3 62.2 1.0 CA A:ALA175 4.4 59.1 1.0 CB A:PHE174 4.5 60.7 1.0 O A:ALA175 5.0 62.9 1.0

Chlorine binding site 4 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:66.0 occ:1.00 N B:PHE78 3.3 60.1 1.0 NH1 B:ARG85 3.5 65.0 1.0 CD2 B:PHE78 3.5 69.9 1.0 N B:ARG85 3.5 71.2 1.0 CB B:PHE78 3.8 62.7 1.0 CG B:ARG85 4.0 71.2 1.0 CA B:ARG77 4.0 58.5 1.0 CA B:ALA84 4.1 73.1 1.0 CB B:ARG85 4.1 67.7 1.0 CA B:PHE78 4.1 60.5 1.0 CG2 B:VAL81 4.1 60.0 1.0 CG B:PHE78 4.1 65.8 1.0 C B:ARG77 4.1 62.0 1.0 CD B:ARG85 4.1 72.9 1.0 C B:ALA84 4.3 76.2 1.0 O B:PHE78 4.3 64.9 1.0 CB B:ARG77 4.3 57.3 1.0 CA B:ARG85 4.4 70.3 1.0 CZ B:ARG85 4.5 80.0 1.0 CB B:ALA84 4.5 74.6 1.0 CE2 B:PHE78 4.6 73.5 1.0 CG B:ARG77 4.7 65.8 1.0 C B:PHE78 4.7 64.0 1.0 NE B:ARG85 4.8 73.2 1.0

Chlorine binding site 5 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl406 b:63.2 occ:1.00 N C:PHE78 3.4 64.1 1.0 NH1 C:ARG85 3.5 57.7 1.0 N C:ARG85 3.5 69.5 1.0 CD2 C:PHE78 3.7 73.4 1.0 CB C:PHE78 3.9 66.4 1.0 CA C:ALA84 4.0 69.7 1.0 CG C:ARG85 4.0 66.6 1.0 CA C:ARG77 4.1 62.1 1.0 CG2 C:VAL81 4.1 64.5 1.0 CB C:ARG85 4.1 65.9 1.0 CA C:PHE78 4.2 64.1 1.0 CD C:ARG85 4.2 66.9 1.0 C C:ARG77 4.2 66.6 1.0 C C:ALA84 4.3 73.7 1.0 CG C:PHE78 4.3 69.5 1.0 CB C:ARG77 4.3 60.8 1.0 O C:PHE78 4.4 65.1 1.0 CA C:ARG85 4.4 68.5 1.0 CB C:ALA84 4.5 70.9 1.0 CZ C:ARG85 4.6 77.2 1.0 CG C:ARG77 4.6 68.4 1.0 CE2 C:PHE78 4.7 76.9 1.0 C C:PHE78 4.8 65.5 1.0 NE C:ARG85 4.8 67.7 1.0

Chlorine binding site 6 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl406 b:66.8 occ:1.00 N D:PHE78 3.3 58.3 1.0 NH1 D:ARG85 3.4 61.8 1.0 CD2 D:PHE78 3.5 68.6 1.0 N D:ARG85 3.5 66.5 1.0 CB D:PHE78 3.8 61.1 1.0 CG D:ARG85 3.9 66.7 1.0 CA D:ARG77 4.0 55.5 1.0 CB D:ARG85 4.0 63.0 1.0 CD D:ARG85 4.1 67.6 1.0 CG D:PHE78 4.1 64.5 1.0 CA D:ALA84 4.1 66.9 1.0 C D:ARG77 4.1 60.1 1.0 CA D:PHE78 4.1 58.5 1.0 CG2 D:VAL81 4.2 61.3 1.0 C D:ALA84 4.3 71.0 1.0 CB D:ARG77 4.3 53.0 1.0 CA D:ARG85 4.4 65.8 1.0 O D:PHE78 4.4 61.3 1.0 CZ D:ARG85 4.4 78.3 1.0 CE2 D:PHE78 4.5 72.5 1.0 CB D:ALA84 4.6 68.0 1.0 NE D:ARG85 4.7 72.7 1.0 CG D:ARG77 4.7 57.0 1.0 C D:PHE78 4.8 61.1 1.0 O D:ILE76 4.9 60.8 1.0

Chlorine binding site 7 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl406 b:71.0 occ:1.00 N E:PHE78 3.3 62.3 1.0 NH1 E:ARG85 3.4 65.6 1.0 N E:ARG85 3.6 70.1 1.0 CD2 E:PHE78 3.6 71.8 1.0 CB E:PHE78 3.8 64.5 1.0 CA E:ARG77 4.0 61.2 1.0 CG E:ARG85 4.0 72.1 1.0 CA E:ALA84 4.1 71.7 1.0 CA E:PHE78 4.1 62.0 1.0 C E:ARG77 4.1 65.1 1.0 CB E:ARG85 4.1 66.6 1.0 CG2 E:VAL81 4.1 64.1 1.0 CG E:PHE78 4.2 67.7 1.0 CD E:ARG85 4.2 69.3 1.0 CB E:ARG77 4.3 59.3 1.0 C E:ALA84 4.3 75.4 1.0 O E:PHE78 4.3 63.5 1.0 CA E:ARG85 4.5 69.1 1.0 CZ E:ARG85 4.5 83.0 1.0 CB E:ALA84 4.6 72.9 1.0 CE2 E:PHE78 4.6 75.3 1.0 CG E:ARG77 4.6 68.2 1.0 C E:PHE78 4.7 63.5 1.0 NE E:ARG85 4.8 71.4 1.0 O E:ILE76 5.0 67.0 1.0

L.Sauguet, R.J.Howard, L.Malherbe, U.S.Lee, P.J.Corringer, R.A.Harris, M.Delarue. Structural Basis For Potentiation By Alcohols and Anaesthetics in A Ligand-Gated Ion Channel. Nat Commun V. 4 1697 2013.
ISSN: ESSN 2041-1723
PubMed: 23591864
DOI: 10.1038/NCOMMS2682