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

The structure of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to Ethanol, PDB code: 4hfe 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)	30.00 / 2.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	180.990, 133.620, 159.130, 90.00, 102.17, 90.00
R / Rfree (%)	20.5 / 21.5

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

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 Ethanol (pdb code 4hfe). 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 Ethanol, PDB code: 4hfe:
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 Ethanol


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 Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:81.7 occ:1.00 N A:PHE78 3.4 81.2 1.0 N A:ARG85 3.6 92.4 1.0 NH1 A:ARG85 3.6 93.3 1.0 CD2 A:PHE78 3.8 91.7 1.0 CB A:PHE78 3.9 83.4 1.0 CA A:ALA84 3.9 95.0 1.0 CA A:ARG77 4.1 78.0 1.0 CG2 A:VAL81 4.1 78.9 1.0 CG A:ARG85 4.1 94.6 1.0 CA A:PHE78 4.2 81.0 1.0 C A:ARG77 4.2 83.2 1.0 CB A:ARG85 4.2 89.3 1.0 C A:ALA84 4.3 97.6 1.0 O A:PHE78 4.3 81.1 1.0 CB A:ARG77 4.3 77.3 1.0 O A:HOH503 4.3 80.2 1.0 CG A:PHE78 4.3 87.7 1.0 CD A:ARG85 4.3 97.6 1.0 CB A:ALA84 4.4 96.8 1.0 CA A:ARG85 4.5 91.3 1.0 CG A:ARG77 4.6 85.6 1.0 CZ A:ARG85 4.7 0.9 1.0 C A:PHE78 4.7 81.0 1.0 CE2 A:PHE78 4.8 95.8 1.0 NE A:ARG85 5.0 99.1 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 Ethanol


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 Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:0.5 occ:1.00 N A:LEU180 3.3 84.2 1.0 OD1 A:ASN139 3.3 0.4 1.0 CA A:ARG179 3.8 85.7 1.0 CB A:LEU180 3.8 84.4 1.0 C A:ARG179 4.0 87.9 1.0 CA A:LEU180 4.1 83.1 1.0 O A:ASP178 4.2 95.3 1.0 CG A:ASN139 4.4 0.0 1.0 CD A:ARG179 4.5 0.3 1.0 CB A:ARG179 4.6 83.8 1.0 CB A:SER134 4.6 92.7 1.0 N A:ARG179 4.8 87.1 1.0 C A:ASP178 4.9 93.7 1.0 CG A:ARG179 5.0 90.6 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 Ethanol


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 Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:0.9 occ:1.00 N A:ALA175 3.4 85.6 1.0 CB A:ALA175 3.8 89.0 1.0 CA A:PHE174 4.1 83.3 1.0 CA A:ALA175 4.2 86.2 1.0 C A:PHE174 4.2 87.7 1.0 CB A:PHE174 4.3 82.9 1.0 O A:ALA175 4.6 88.8 1.0 C A:ALA175 4.9 89.9 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 Ethanol


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 Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:79.3 occ:1.00 N B:PHE78 3.3 76.6 1.0 NH1 B:ARG85 3.5 89.2 1.0 CD2 B:PHE78 3.6 86.2 1.0 N B:ARG85 3.6 92.6 1.0 CB B:PHE78 3.7 79.0 1.0 CG2 B:VAL81 4.0 78.0 1.0 CA B:PHE78 4.0 77.0 1.0 CA B:ARG77 4.0 73.0 1.0 CA B:ALA84 4.1 97.0 1.0 CG B:ARG85 4.1 95.8 1.0 CG B:PHE78 4.1 82.5 1.0 C B:ARG77 4.1 77.4 1.0 CB B:ARG85 4.2 90.2 1.0 O B:PHE78 4.2 80.4 1.0 CD B:ARG85 4.3 99.3 1.0 CB B:ARG77 4.3 71.9 1.0 C B:ALA84 4.4 98.8 1.0 CA B:ARG85 4.5 91.5 1.0 CB B:ALA84 4.5 99.2 1.0 CE2 B:PHE78 4.6 90.2 1.0 CZ B:ARG85 4.6 0.9 1.0 C B:PHE78 4.7 79.8 1.0 CG B:ARG77 4.7 82.4 1.0 NE B:ARG85 4.9 0.3 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 Ethanol


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 Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:80.4 occ:1.00 N C:PHE78 3.4 77.5 1.0 N C:ARG85 3.5 93.3 1.0 NH1 C:ARG85 3.6 85.4 1.0 CD2 C:PHE78 3.8 86.5 1.0 CA C:ALA84 3.9 94.2 1.0 CB C:PHE78 4.0 79.2 1.0 CG2 C:VAL81 4.1 78.2 1.0 CA C:ARG77 4.1 76.8 1.0 CG C:ARG85 4.1 92.8 1.0 CB C:ARG85 4.2 90.2 1.0 CA C:PHE78 4.2 77.1 1.0 C C:ARG77 4.3 80.7 1.0 C C:ALA84 4.3 97.7 1.0 CD C:ARG85 4.3 94.8 1.0 CB C:ARG77 4.3 76.7 1.0 CG C:PHE78 4.3 82.7 1.0 O C:PHE78 4.3 78.6 1.0 CB C:ALA84 4.4 96.3 1.0 CA C:ARG85 4.5 92.3 1.0 CG C:ARG77 4.6 87.3 1.0 CZ C:ARG85 4.7 0.8 1.0 CE2 C:PHE78 4.8 90.4 1.0 C C:PHE78 4.8 78.1 1.0 NE C:ARG85 4.9 96.9 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 Ethanol


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 Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl404 b:78.8 occ:1.00 N D:PHE78 3.3 71.9 1.0 NH1 D:ARG85 3.5 91.0 1.0 CD2 D:PHE78 3.6 80.8 1.0 N D:ARG85 3.6 90.4 1.0 CB D:PHE78 3.8 73.5 1.0 CA D:ARG77 4.0 70.4 1.0 CG D:ARG85 4.0 90.8 1.0 CA D:PHE78 4.1 71.4 1.0 CA D:ALA84 4.1 92.7 1.0 C D:ARG77 4.1 74.5 1.0 CB D:ARG85 4.1 86.6 1.0 CG2 D:VAL81 4.1 77.1 1.0 CG D:PHE78 4.1 76.9 1.0 CD D:ARG85 4.2 92.1 1.0 O D:PHE78 4.3 74.4 1.0 CB D:ARG77 4.3 69.5 1.0 C D:ALA84 4.4 96.3 1.0 CA D:ARG85 4.5 89.2 1.0 CB D:ALA84 4.5 94.9 1.0 CZ D:ARG85 4.6 0.7 1.0 CE2 D:PHE78 4.6 84.8 1.0 C D:PHE78 4.7 73.5 1.0 CG D:ARG77 4.7 78.4 1.0 NE D:ARG85 4.8 99.1 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 Ethanol


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 Ethanol within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl402 b:95.7 occ:1.00 N E:PHE78 3.3 81.7 1.0 NH1 E:ARG85 3.5 96.5 1.0 N E:ARG85 3.6 95.0 1.0 CD2 E:PHE78 3.7 90.1 1.0 CB E:PHE78 3.8 83.0 1.0 CA E:ARG77 4.0 82.0 1.0 CA E:ALA84 4.0 98.3 1.0 CA E:PHE78 4.1 80.9 1.0 CG2 E:VAL81 4.1 83.7 1.0 C E:ARG77 4.1 85.5 1.0 CG E:ARG85 4.1 92.3 1.0 CG E:PHE78 4.2 86.3 1.0 CB E:ARG85 4.2 90.7 1.0 CB E:ARG77 4.2 83.9 1.0 O E:PHE78 4.3 82.4 1.0 CD E:ARG85 4.3 93.3 1.0 C E:ALA84 4.4 0.6 1.0 CB E:ALA84 4.5 0.5 1.0 CA E:ARG85 4.6 93.5 1.0 CG E:ARG77 4.6 96.6 1.0 CZ E:ARG85 4.6 0.6 1.0 C E:PHE78 4.7 82.1 1.0 CE2 E:PHE78 4.7 93.7 1.0 NE E:ARG85 4.9 98.4 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