Chlorine in PDB 4hfd: The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to Bromoform

The structure of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to Bromoform, PDB code: 4hfd 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)	27.73 / 3.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.218, 132.869, 159.376, 90.00, 102.29, 90.00
R / Rfree (%)	19.5 / 20.8

The structure of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to Bromoform also contains other interesting chemical elements:

Bromine	(Br)	60 atoms
Sodium	(Na)	6 atoms

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to Bromoform (pdb code 4hfd). 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 F14'A Ethanol-Sensitive Mutant Complexed to Bromoform, PDB code: 4hfd:
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 F14'A Ethanol-Sensitive Mutant 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 F14'A Ethanol-Sensitive Mutant Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:68.3 occ:1.00 N A:PHE78 3.3 65.4 1.0 N A:ARG85 3.5 67.1 1.0 NH1 A:ARG85 3.5 72.6 1.0 CD2 A:PHE78 3.6 77.6 1.0 CB A:PHE78 3.8 69.2 1.0 CA A:ALA84 3.9 67.6 1.0 CG A:ARG85 4.0 58.6 1.0 CA A:ARG77 4.0 60.2 1.0 CG2 A:VAL81 4.0 61.6 1.0 CA A:PHE78 4.1 65.6 1.0 CB A:ARG85 4.1 60.8 1.0 C A:ARG77 4.1 67.8 1.0 CG A:PHE78 4.2 73.5 1.0 C A:ALA84 4.2 74.0 1.0 CD A:ARG85 4.2 63.2 1.0 O A:PHE78 4.3 64.7 1.0 CB A:ARG77 4.3 56.2 1.0 CA A:ARG85 4.4 65.0 1.0 CB A:ALA84 4.5 68.9 1.0 CZ A:ARG85 4.6 81.6 1.0 CE2 A:PHE78 4.7 81.2 1.0 C A:PHE78 4.7 64.1 1.0 O A:HOH509 4.7 56.0 1.0 CG A:ARG77 4.8 59.5 1.0 NE A:ARG85 4.9 73.4 1.0

Chlorine binding site 2 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant 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 F14'A Ethanol-Sensitive Mutant Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:89.3 occ:1.00 N A:LEU180 3.3 65.7 1.0 OD1 A:ASN139 3.3 82.6 1.0 CA A:ARG179 3.8 64.9 1.0 CB A:LEU180 3.9 65.9 1.0 C A:ARG179 4.0 67.3 1.0 CA A:LEU180 4.2 65.4 1.0 O A:ASP178 4.2 75.4 1.0 CG A:ASN139 4.4 96.2 1.0 CD A:ARG179 4.4 80.3 1.0 CB A:SER134 4.5 68.2 1.0 CB A:ARG179 4.5 60.9 1.0 N A:ARG179 4.7 67.2 1.0 CG A:ARG179 4.8 68.6 1.0 C A:ASP178 4.9 75.0 1.0

Chlorine binding site 3 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant 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 F14'A Ethanol-Sensitive Mutant Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:85.0 occ:1.00 N A:ALA175 3.4 61.9 1.0 CB A:ALA175 3.9 62.6 1.0 CA A:PHE174 4.0 61.5 1.0 C A:PHE174 4.2 64.9 1.0 CA A:ALA175 4.2 61.2 1.0 CB A:PHE174 4.3 60.6 1.0 O A:ALA175 4.7 70.9 1.0

Chlorine binding site 4 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant 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 F14'A Ethanol-Sensitive Mutant Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:67.6 occ:1.00 N B:PHE78 3.0 63.6 1.0 NH1 B:ARG85 3.3 61.9 1.0 CD2 B:PHE78 3.4 72.9 1.0 CB B:PHE78 3.6 65.4 1.0 N B:ARG85 3.6 65.5 1.0 CA B:ARG77 3.8 59.4 1.0 CA B:PHE78 3.9 63.7 1.0 C B:ARG77 3.9 64.9 1.0 CG B:PHE78 3.9 68.6 1.0 CG B:ARG85 4.0 54.9 1.0 CB B:ARG85 4.1 56.1 1.0 CD B:ARG85 4.1 73.3 1.0 CG2 B:VAL81 4.2 60.3 1.0 O B:PHE78 4.2 69.9 1.0 CB B:ARG77 4.2 56.2 1.0 CA B:ALA84 4.2 67.5 1.0 CE2 B:PHE78 4.4 75.8 1.0 CZ B:ARG85 4.5 83.1 1.0 C B:ALA84 4.5 72.8 1.0 CA B:ARG85 4.5 64.1 1.0 C B:PHE78 4.6 69.0 1.0 CG B:ARG77 4.7 65.3 1.0 CB B:ALA84 4.7 69.3 1.0 NE B:ARG85 4.8 80.6 1.0 O B:ILE76 4.9 67.4 1.0

Chlorine binding site 5 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant 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 F14'A Ethanol-Sensitive Mutant Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:68.7 occ:1.00 N C:PHE78 3.3 67.3 1.0 N C:ARG85 3.5 75.0 1.0 NH1 C:ARG85 3.5 64.2 1.0 CD2 C:PHE78 3.6 78.2 1.0 CB C:PHE78 3.8 69.5 1.0 CG C:ARG85 4.0 54.7 1.0 CA C:ALA84 4.0 71.2 1.0 CB C:ARG85 4.0 69.1 1.0 CG2 C:VAL81 4.0 68.0 1.0 CA C:ARG77 4.1 63.2 1.0 CA C:PHE78 4.1 67.2 1.0 CG C:PHE78 4.2 73.5 1.0 C C:ARG77 4.2 69.2 1.0 CD C:ARG85 4.2 58.5 1.0 C C:ALA84 4.2 77.7 1.0 O C:PHE78 4.3 73.0 1.0 CA C:ARG85 4.4 73.9 1.0 CB C:ARG77 4.4 60.1 1.0 CB C:ALA84 4.5 71.9 1.0 CZ C:ARG85 4.6 79.0 1.0 CE2 C:PHE78 4.6 81.2 1.0 C C:PHE78 4.7 70.9 1.0 CG C:ARG77 4.8 69.3 1.0 NE C:ARG85 4.9 60.6 1.0

Chlorine binding site 6 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant 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 F14'A Ethanol-Sensitive Mutant Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:68.8 occ:1.00 N D:PHE78 3.2 60.0 1.0 NH1 D:ARG85 3.4 67.3 1.0 N D:ARG85 3.5 66.8 1.0 CD2 D:PHE78 3.6 70.0 1.0 CB D:PHE78 3.8 62.9 1.0 CA D:ARG77 4.0 54.8 1.0 CG D:ARG85 4.0 62.1 1.0 CB D:ARG85 4.1 60.4 1.0 CA D:ALA84 4.1 67.1 1.0 C D:ARG77 4.1 62.5 1.0 CA D:PHE78 4.1 60.2 1.0 CD D:ARG85 4.1 68.6 1.0 CG D:PHE78 4.2 66.8 1.0 CG2 D:VAL81 4.2 66.0 1.0 CB D:ARG77 4.3 51.6 1.0 C D:ALA84 4.3 72.0 1.0 O D:PHE78 4.3 64.9 1.0 CA D:ARG85 4.4 65.4 1.0 CZ D:ARG85 4.5 85.1 1.0 CB D:ALA84 4.5 68.9 1.0 CE2 D:PHE78 4.6 73.9 1.0 CG D:ARG77 4.7 58.9 1.0 C D:PHE78 4.7 62.8 1.0 NE D:ARG85 4.8 78.9 1.0 O D:ILE76 5.0 62.5 1.0

Chlorine binding site 7 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant 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 F14'A Ethanol-Sensitive Mutant Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl402 b:76.6 occ:1.00 N E:PHE78 3.1 63.9 1.0 CD2 E:PHE78 3.5 77.2 1.0 NH1 E:ARG85 3.5 72.4 1.0 N E:ARG85 3.6 70.5 1.0 CB E:PHE78 3.7 68.1 1.0 CA E:ARG77 3.9 62.6 1.0 CA E:PHE78 3.9 64.8 1.0 C E:ARG77 4.0 66.0 1.0 CG2 E:VAL81 4.0 68.6 1.0 CG E:PHE78 4.0 72.7 1.0 CA E:ALA84 4.1 74.7 1.0 CG E:ARG85 4.1 59.0 1.0 CB E:ARG85 4.2 62.8 1.0 O E:PHE78 4.2 67.2 1.0 CB E:ARG77 4.3 62.5 1.0 CD E:ARG85 4.3 58.6 1.0 C E:ALA84 4.4 78.9 1.0 CA E:ARG85 4.5 68.4 1.0 CE2 E:PHE78 4.6 79.7 1.0 C E:PHE78 4.6 66.6 1.0 O E:HOH513 4.6 57.1 1.0 CB E:ALA84 4.6 76.2 1.0 CZ E:ARG85 4.6 77.8 1.0 CG E:ARG77 4.7 76.1 1.0 NE E:ARG85 4.9 64.5 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