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

Protein crystallography data

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

Other elements in 4hfh:

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

Chlorine Binding Sites:

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 4hfh

Go back to Chlorine Binding Sites List in 4hfh
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 4hfh

Go back to Chlorine Binding Sites List in 4hfh
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 4hfh

Go back to Chlorine Binding Sites List in 4hfh
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 4hfh

Go back to Chlorine Binding Sites List in 4hfh
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 4hfh

Go back to Chlorine Binding Sites List in 4hfh
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 4hfh

Go back to Chlorine Binding Sites List in 4hfh
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 4hfh

Go back to Chlorine Binding Sites List in 4hfh
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

Reference:

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
Page generated: Fri Jul 11 16:20:14 2025

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