Chlorine in PDB 4hfi: The Glic Pentameric Ligand-Gated Ion Channel at 2.4 A Resolution

The structure of The Glic Pentameric Ligand-Gated Ion Channel at 2.4 A Resolution, PDB code: 4hfi was solved by L.Sauguet, P.J.Corringer, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.05 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.890, 133.200, 160.200, 90.00, 102.74, 90.00
R / Rfree (%)	20.5 / 21.6

The structure of The Glic Pentameric Ligand-Gated Ion Channel at 2.4 A Resolution 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 at 2.4 A Resolution (pdb code 4hfi). 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 at 2.4 A Resolution, PDB code: 4hfi:
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 at 2.4 A Resolution


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 at 2.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:62.2 occ:1.00 O A:HOH502 2.7 60.6 1.0 N A:PHE78 3.3 55.7 1.0 NH1 A:ARG85 3.4 71.1 1.0 N A:ARG85 3.5 66.7 1.0 O A:HOH567 3.5 65.2 1.0 CD2 A:PHE78 3.7 65.5 1.0 CG A:ARG85 3.9 72.1 1.0 CB A:PHE78 3.9 58.4 1.0 CA A:ALA84 4.0 66.8 1.0 CA A:ARG77 4.0 54.8 1.0 CB A:ARG85 4.0 65.3 1.0 CG2 A:VAL81 4.1 56.5 1.0 C A:ARG77 4.2 58.0 1.0 CA A:PHE78 4.2 55.8 1.0 CG A:PHE78 4.2 61.6 1.0 CD A:ARG85 4.2 75.4 1.0 C A:ALA84 4.3 70.9 1.0 CB A:ARG77 4.4 54.0 1.0 O A:PHE78 4.4 56.5 1.0 CA A:ARG85 4.4 66.2 1.0 CB A:ALA84 4.5 68.0 1.0 CZ A:ARG85 4.5 85.0 1.0 O A:HOH505 4.6 76.9 1.0 CG A:ARG77 4.7 61.5 1.0 CE2 A:PHE78 4.7 69.2 1.0 C A:PHE78 4.8 57.1 1.0 NE A:ARG85 4.8 77.4 1.0

Chlorine binding site 2 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel at 2.4 A Resolution


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 at 2.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:73.4 occ:1.00 O A:HOH604 3.0 72.5 1.0 N A:LEU180 3.2 59.2 1.0 OD1 A:ASN139 3.3 82.2 1.0 CA A:ARG179 3.8 60.5 1.0 CB A:LEU180 3.8 59.3 1.0 C A:ARG179 4.0 63.1 1.0 O A:ASP178 4.1 67.9 1.0 CA A:LEU180 4.1 58.4 1.0 CG A:ASN139 4.4 93.3 1.0 CD A:ARG179 4.5 87.1 1.0 CB A:SER134 4.6 64.4 1.0 CB A:ARG179 4.6 60.1 1.0 N A:ARG179 4.7 61.6 1.0 C A:ASP178 4.8 67.7 1.0 CG A:ARG179 5.0 72.5 1.0

Chlorine binding site 3 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel at 2.4 A Resolution


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 at 2.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:88.3 occ:1.00 N A:ALA175 3.5 56.3 1.0 CB A:ALA175 3.9 58.7 1.0 CA A:PHE174 4.2 56.8 1.0 CA A:ALA175 4.3 56.6 1.0 C A:PHE174 4.3 58.9 1.0 CB A:PHE174 4.5 58.0 1.0 O A:ALA175 4.8 59.5 1.0

Chlorine binding site 4 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel at 2.4 A Resolution


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 at 2.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl405 b:63.9 occ:1.00 O B:HOH502 2.9 61.3 1.0 N B:PHE78 3.2 56.6 1.0 NH1 B:ARG85 3.4 56.8 1.0 CD2 B:PHE78 3.5 65.2 1.0 N B:ARG85 3.6 71.5 1.0 CB B:PHE78 3.8 59.1 1.0 CG B:ARG85 3.9 74.9 1.0 CA B:ARG77 4.0 54.6 1.0 CA B:PHE78 4.1 56.8 1.0 C B:ARG77 4.1 58.5 1.0 CB B:ARG85 4.1 68.5 1.0 CG2 B:VAL81 4.1 59.0 1.0 CG B:PHE78 4.1 61.8 1.0 CA B:ALA84 4.1 72.9 1.0 CD B:ARG85 4.2 75.0 1.0 CB B:ARG77 4.3 54.0 1.0 O B:PHE78 4.3 58.8 1.0 C B:ALA84 4.4 76.2 1.0 CA B:ARG85 4.5 70.5 1.0 CZ B:ARG85 4.5 80.0 1.0 CE2 B:PHE78 4.6 68.6 1.0 CB B:ALA84 4.6 74.5 1.0 CG B:ARG77 4.7 60.7 1.0 C B:PHE78 4.7 59.1 1.0 NE B:ARG85 4.8 74.3 1.0 O B:ILE76 5.0 59.5 1.0

Chlorine binding site 5 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel at 2.4 A Resolution


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 at 2.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl405 b:61.7 occ:1.00 O C:HOH502 2.7 69.0 1.0 N C:PHE78 3.4 56.6 1.0 N C:ARG85 3.5 68.1 1.0 NH1 C:ARG85 3.5 66.7 1.0 CD2 C:PHE78 3.7 64.1 1.0 CG C:ARG85 3.9 70.8 1.0 CB C:PHE78 3.9 58.2 1.0 CA C:ALA84 4.0 69.0 1.0 CB C:ARG85 4.0 64.6 1.0 CG2 C:VAL81 4.1 57.5 1.0 CA C:ARG77 4.1 55.8 1.0 CA C:PHE78 4.2 56.2 1.0 C C:ARG77 4.2 59.1 1.0 C C:ALA84 4.2 72.7 1.0 CD C:ARG85 4.3 73.8 1.0 CG C:PHE78 4.3 60.5 1.0 CA C:ARG85 4.4 67.0 1.0 CB C:ARG77 4.4 55.0 1.0 O C:PHE78 4.4 58.5 1.0 CB C:ALA84 4.5 70.5 1.0 O B:HOH623 4.5 84.2 1.0 CZ C:ARG85 4.6 82.0 1.0 CG C:ARG77 4.7 62.8 1.0 CE2 C:PHE78 4.7 67.6 1.0 C C:PHE78 4.8 58.6 1.0 NE C:ARG85 4.9 75.3 1.0

Chlorine binding site 6 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel at 2.4 A Resolution


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 at 2.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl405 b:52.1 occ:1.00 O D:HOH552 2.8 58.1 1.0 N D:PHE78 3.2 53.0 1.0 NH1 D:ARG85 3.3 60.4 1.0 CD2 D:PHE78 3.5 62.4 1.0 N D:ARG85 3.6 66.8 1.0 CG D:ARG85 3.8 67.9 1.0 CB D:PHE78 3.8 55.5 1.0 CA D:ARG77 4.0 51.4 1.0 CB D:ARG85 4.0 63.6 1.0 C D:ARG77 4.1 55.2 1.0 CA D:PHE78 4.1 52.9 1.0 CG D:PHE78 4.1 58.5 1.0 CD D:ARG85 4.1 68.9 1.0 CA D:ALA84 4.2 67.5 1.0 CG2 D:VAL81 4.2 52.7 1.0 CB D:ARG77 4.4 50.0 1.0 C D:ALA84 4.4 71.3 1.0 CA D:ARG85 4.4 66.0 1.0 O D:PHE78 4.4 54.7 1.0 CZ D:ARG85 4.4 77.3 1.0 CE2 D:PHE78 4.5 66.1 1.0 CB D:ALA84 4.6 69.0 1.0 CG D:ARG77 4.7 56.2 1.0 NE D:ARG85 4.7 70.7 1.0 C D:PHE78 4.8 54.5 1.0 O D:ILE76 4.9 57.1 1.0

Chlorine binding site 7 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel at 2.4 A Resolution


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 at 2.4 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl405 b:62.5 occ:1.00 O E:HOH502 2.8 67.8 1.0 N E:PHE78 3.3 58.5 1.0 NH1 E:ARG85 3.4 70.9 1.0 N E:ARG85 3.5 69.2 1.0 CD2 E:PHE78 3.6 66.1 1.0 CG E:ARG85 3.8 71.4 1.0 CB E:PHE78 3.8 60.4 1.0 CA E:ARG77 4.0 57.5 1.0 CB E:ARG85 4.0 65.8 1.0 CA E:ALA84 4.1 71.0 1.0 C E:ARG77 4.1 60.9 1.0 CA E:PHE78 4.1 58.3 1.0 CG2 E:VAL81 4.1 60.4 1.0 CG E:PHE78 4.2 62.8 1.0 CD E:ARG85 4.2 73.7 1.0 C E:ALA84 4.3 74.0 1.0 CB E:ARG77 4.3 56.6 1.0 CA E:ARG85 4.4 68.2 1.0 O E:PHE78 4.4 59.8 1.0 CZ E:ARG85 4.5 86.4 1.0 CB E:ALA84 4.5 72.5 1.0 CE2 E:PHE78 4.6 69.5 1.0 CG E:ARG77 4.7 65.4 1.0 NE E:ARG85 4.8 77.6 1.0 C E:PHE78 4.8 60.5 1.0 O E:ILE76 5.0 62.1 1.0

L.Sauguet, F.Poitevin, S.Murail, C.Van Renterghem, G.Moraga-Cid, L.Malherbe, A.W.Thompson, P.Koehl, P.J.Corringer, M.Baaden, M.Delarue. Structural Basis For Ion Permeation Mechanism in Pentameric Ligand-Gated Ion Channels. Embo J. V. 32 728 2013.
ISSN: ISSN 0261-4189
PubMed: 23403925
DOI: 10.1038/EMBOJ.2013.17