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Chlorine in PDB 4hfc: The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-Ethanol

Protein crystallography data

The structure of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-Ethanol, PDB code: 4hfc 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 / 3.05
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 180.880, 133.140, 159.350, 90.00, 102.22, 90.00
R / Rfree (%) 19.2 / 22

Other elements in 4hfc:

The structure of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-Ethanol also contains other interesting chemical elements:

Bromine (Br) 5 atoms
Sodium (Na) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-Ethanol (pdb code 4hfc). 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 2-Bromo-Ethanol, PDB code: 4hfc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4hfc

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Chlorine binding site 1 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-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 2-Bromo-Ethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:56.2
occ:1.00
 O A:HOH503 2.7 56.9 1.0
NH1 A:ARG85 3.2 70.8 1.0
N A:PHE78 3.3 69.8 1.0
CD2 A:PHE78 3.4 80.9 1.0
N A:ARG85 3.4 74.6 1.0
CG A:ARG85 3.5 64.3 1.0
CB A:ARG85 3.8 65.9 1.0
CB A:PHE78 3.9 72.7 1.0
CA A:ARG77 4.1 65.0 1.0
CG A:PHE78 4.1 77.1 1.0
CA A:ALA84 4.1 78.4 1.0
CA A:PHE78 4.1 69.4 1.0
C A:ARG77 4.2 72.1 1.0
CG2 A:VAL81 4.2 68.2 1.0
CD A:ARG85 4.2 72.7 1.0
CA A:ARG85 4.2 72.4 1.0
C A:ALA84 4.3 81.8 1.0
CZ A:ARG85 4.3 82.9 1.0
CE2 A:PHE78 4.3 84.1 1.0
O A:PHE78 4.4 66.0 1.0
CB A:ARG77 4.5 63.1 1.0
CB A:ALA84 4.7 80.1 1.0
NE A:ARG85 4.7 79.0 1.0
C A:PHE78 4.8 66.1 1.0
O A:HOH512 4.9 63.2 1.0
CG A:ARG77 4.9 65.8 1.0
O A:ILE76 5.0 66.3 1.0

Chlorine binding site 2 out of 7 in 4hfc

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Chlorine binding site 2 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-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 2-Bromo-Ethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:83.2
occ:1.00
 N A:LEU180 3.2 70.8 1.0
ND2 A:ASN139 3.5 0.2 1.0
CA A:ARG179 3.7 71.4 1.0
OD1 A:ASN139 3.7 88.6 1.0
CB A:LEU180 3.9 69.1 1.0
C A:ARG179 3.9 73.2 1.0
CG A:ASN139 4.0 0.6 1.0
CA A:LEU180 4.1 69.2 1.0
CD A:ARG179 4.3 91.7 1.0
CB A:SER134 4.3 79.3 1.0
CB A:ARG179 4.3 68.2 1.0
O A:ASP178 4.4 84.0 1.0
CG A:ARG179 4.5 80.7 1.0
N A:ARG179 4.7 74.4 1.0
OG A:SER134 4.8 86.6 1.0
C A:ASP178 4.9 82.9 1.0

Chlorine binding site 3 out of 7 in 4hfc

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Chlorine binding site 3 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-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 2-Bromo-Ethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:74.9
occ:1.00
 N A:ALA175 3.4 75.4 1.0
CB A:ALA175 3.8 77.3 1.0
CA A:PHE174 4.0 68.9 1.0
C A:PHE174 4.2 76.3 1.0
CA A:ALA175 4.3 74.9 1.0
CB A:PHE174 4.4 68.3 1.0
O A:ALA175 4.9 79.4 1.0

Chlorine binding site 4 out of 7 in 4hfc

Go back to Chlorine Binding Sites List in 4hfc
Chlorine binding site 4 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-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 2-Bromo-Ethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:57.9
occ:1.00
 N B:PHE78 3.3 63.0 1.0
NH1 B:ARG85 3.4 79.0 1.0
N B:ARG85 3.5 73.8 1.0
CD2 B:PHE78 3.5 76.7 1.0
CG B:ARG85 3.6 64.4 1.0
CB B:PHE78 3.9 67.3 1.0
CB B:ARG85 3.9 64.1 1.0
CA B:ALA84 4.0 77.9 1.0
CG2 B:VAL81 4.1 68.3 1.0
CA B:ARG77 4.1 63.2 1.0
CA B:PHE78 4.1 64.2 1.0
C B:ARG77 4.1 65.5 1.0
CG B:PHE78 4.2 71.7 1.0
C B:ALA84 4.3 80.6 1.0
O B:PHE78 4.3 68.9 1.0
CA B:ARG85 4.3 71.6 1.0
CD B:ARG85 4.4 75.4 1.0
CZ B:ARG85 4.5 81.9 1.0
CB B:ALA84 4.5 80.4 1.0
CB B:ARG77 4.5 62.4 1.0
CE2 B:PHE78 4.5 79.7 1.0
C B:PHE78 4.7 68.1 1.0
NE B:ARG85 4.9 73.8 1.0
CG B:ARG77 4.9 74.1 1.0
CG1 B:VAL81 4.9 66.4 1.0

Chlorine binding site 5 out of 7 in 4hfc

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Chlorine binding site 5 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-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 2-Bromo-Ethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl403

b:53.1
occ:1.00
 N C:PHE78 3.2 71.1 1.0
N C:ARG85 3.5 80.1 1.0
NH1 C:ARG85 3.6 72.3 1.0
CD2 C:PHE78 3.7 79.6 1.0
CG C:ARG85 3.9 64.0 1.0
CB C:PHE78 3.9 71.8 1.0
CA C:ARG77 4.0 67.9 1.0
CA C:ALA84 4.0 82.3 1.0
CA C:PHE78 4.1 70.1 1.0
C C:ARG77 4.1 72.8 1.0
O C:PHE78 4.1 73.4 1.0
CB C:ARG85 4.1 73.3 1.0
CG2 C:VAL81 4.1 69.5 1.0
NH1 B:ARG105 4.2 82.8 1.0
CB C:ARG77 4.3 67.2 1.0
CG C:PHE78 4.3 75.5 1.0
C C:ALA84 4.3 84.7 1.0
CA C:ARG85 4.4 79.2 1.0
CB C:ALA84 4.6 84.4 1.0
C C:PHE78 4.6 72.8 1.0
CD C:ARG85 4.6 76.1 1.0
CG C:ARG77 4.7 82.7 1.0
CE2 C:PHE78 4.7 82.9 1.0
CZ C:ARG85 4.8 80.8 1.0

Chlorine binding site 6 out of 7 in 4hfc

Go back to Chlorine Binding Sites List in 4hfc
Chlorine binding site 6 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-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 2-Bromo-Ethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl402

b:57.9
occ:1.00
 O D:HOH505 2.8 76.7 1.0
N D:ARG85 3.4 76.5 1.0
N D:PHE78 3.4 66.2 1.0
NH1 D:ARG85 3.4 72.1 1.0
CG D:ARG85 3.6 75.1 1.0
CD2 D:PHE78 3.7 78.7 1.0
CA D:ALA84 3.9 78.1 1.0
CB D:ARG85 4.0 70.6 1.0
CA D:ARG77 4.0 60.8 1.0
CB D:PHE78 4.1 70.2 1.0
C D:ALA84 4.1 82.8 1.0
C D:ARG77 4.2 67.7 1.0
CA D:PHE78 4.3 66.8 1.0
CA D:ARG85 4.3 74.4 1.0
CG2 D:VAL81 4.3 67.9 1.0
CB D:ALA84 4.3 80.1 1.0
CG D:PHE78 4.4 74.5 1.0
O D:PHE78 4.4 69.2 1.0
CB D:ARG77 4.4 56.6 1.0
CD D:ARG85 4.4 76.0 1.0
CZ D:ARG85 4.5 86.3 1.0
CE2 D:PHE78 4.7 82.5 1.0
CG D:ARG77 4.7 62.1 1.0
C D:PHE78 4.9 69.2 1.0
NE D:ARG85 4.9 76.5 1.0
CG1 D:VAL81 5.0 66.7 1.0
O D:ILE76 5.0 71.6 1.0

Chlorine binding site 7 out of 7 in 4hfc

Go back to Chlorine Binding Sites List in 4hfc
Chlorine binding site 7 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant Complexed to 2-Bromo-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 2-Bromo-Ethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl402

b:58.7
occ:1.00
 N E:PHE78 3.2 71.0 1.0
N E:ARG85 3.5 72.4 1.0
NH1 E:ARG85 3.5 69.2 1.0
CD2 E:PHE78 3.5 79.8 1.0
CG E:ARG85 3.7 63.1 1.0
CB E:PHE78 3.8 73.5 1.0
CG2 E:VAL81 3.9 75.8 1.0
CB E:ARG85 4.0 64.4 1.0
CA E:ARG77 4.0 70.6 1.0
CA E:ALA84 4.0 78.8 1.0
CA E:PHE78 4.0 71.2 1.0
C E:ARG77 4.1 73.8 1.0
CG E:PHE78 4.1 76.5 1.0
O E:PHE78 4.2 76.1 1.0
C E:ALA84 4.3 82.0 1.0
CA E:ARG85 4.4 69.9 1.0
CB E:ARG77 4.4 69.3 1.0
CD E:ARG85 4.5 70.1 1.0
CE2 E:PHE78 4.5 82.1 1.0
CB E:ALA84 4.5 81.0 1.0
CZ E:ARG85 4.6 84.7 1.0
C E:PHE78 4.6 74.4 1.0
CG E:ARG77 4.8 79.6 1.0
NE E:ARG85 5.0 73.9 1.0
CG1 E:VAL81 5.0 74.0 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: Sun Jul 21 15:46:12 2024

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