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

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

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:

Chlorine	(Cl)	7 atoms
Sodium	(Na)	6 atoms

The binding sites of Bromine 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 Bromine atom.
In total 5 binding sites of Bromine 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 Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 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 Bromine with other atoms in the Br 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:Br402 b:0.5 occ:1.00 BR1 A:BRJ402 0.0 0.5 1.0 CB A:BRJ402 2.0 0.6 1.0 CB1 A:BRJ402 2.9 0.9 1.0 CB E:ALA238 3.4 73.1 1.0 CA E:ALA238 3.8 71.9 1.0 OB1 A:BRJ402 4.2 0.2 1.0 N E:ALA238 4.2 71.6 1.0 CG2 A:ILE236 4.2 75.2 1.0 O E:ALA234 4.4 76.9 1.0

Bromine binding site 2 out of 5 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 Bromine with other atoms in the Br 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 B:Br403 b:0.0 occ:1.00 BR1 B:BRJ403 0.0 0.0 1.0 CB B:BRJ403 2.0 0.6 1.0 CB1 B:BRJ403 2.8 0.9 1.0 CB A:ALA238 3.4 72.2 1.0 CA A:ALA238 3.7 71.1 1.0 OB1 B:BRJ403 4.1 0.6 1.0 N A:ALA238 4.4 71.7 1.0 CG2 B:ILE236 4.6 74.9 1.0 CE A:MET205 4.7 82.9 1.0 O A:ALA234 4.8 81.0 1.0 O A:ILE201 4.9 78.7 1.0 CB A:PRO204 4.9 75.2 1.0 O A:ASN200 5.0 86.0 1.0 CD2 A:LEU241 5.0 84.2 1.0

Bromine binding site 3 out of 5 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 Bromine with other atoms in the Br 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 C:Br404 b:0.9 occ:1.00 BR1 C:BRJ404 0.0 0.9 1.0 CB C:BRJ404 2.0 0.3 1.0 CB1 C:BRJ404 2.9 0.8 1.0 CB B:ALA238 3.3 63.0 1.0 CA B:ALA238 3.8 62.4 1.0 OB1 C:BRJ404 4.2 0.7 1.0 CE B:MET205 4.4 92.3 1.0 N B:ALA238 4.5 63.2 1.0 O B:ILE201 4.6 78.7 1.0 CB B:PRO204 4.8 86.0 1.0 O B:ASN200 4.9 90.1 1.0 N B:MET205 4.9 84.9 1.0 O B:ALA234 4.9 79.6 1.0 CG2 B:ILE201 4.9 74.9 1.0 CA B:ILE201 4.9 76.4 1.0 CB B:MET205 5.0 87.2 1.0

Bromine binding site 4 out of 5 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 Bromine with other atoms in the Br 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 D:Br404 b:0.5 occ:1.00 BR1 D:BRJ404 0.0 0.5 1.0 CB D:BRJ404 2.0 0.1 1.0 CB1 D:BRJ404 2.9 0.7 1.0 CB C:ALA238 3.3 70.1 1.0 CA C:ALA238 3.6 69.1 1.0 OB1 D:BRJ404 4.2 0.6 1.0 N C:ALA238 4.4 68.7 1.0 CE C:MET205 4.4 90.2 1.0 O C:ILE201 4.7 83.5 1.0 C C:ALA238 4.9 74.7 1.0 CD2 C:LEU241 4.9 84.6 1.0 CG2 C:ILE201 4.9 79.3 1.0 O C:ASN200 4.9 89.4 1.0 O C:ALA234 4.9 75.2 1.0 CA C:ILE201 4.9 79.3 1.0 CB C:PRO204 5.0 78.5 1.0

Bromine binding site 5 out of 5 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 Bromine with other atoms in the Br 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 E:Br405 b:0.4 occ:1.00 BR1 E:BRJ405 0.0 0.4 1.0 CB E:BRJ405 2.0 0.0 1.0 CB1 E:BRJ405 2.9 0.3 1.0 CB D:ALA238 3.7 66.2 1.0 OB1 E:BRJ405 4.1 0.4 1.0 CB D:PRO204 4.2 85.6 1.0 CA D:ALA238 4.3 65.6 1.0 N D:MET205 4.4 87.4 1.0 O D:ILE201 4.4 80.9 1.0 CE D:MET205 4.5 94.8 1.0 CA D:MET205 4.6 87.3 1.0 O D:ASN200 4.6 89.6 1.0 C D:PRO204 4.7 90.5 1.0 CB D:MET205 4.7 89.4 1.0 CA D:ILE201 4.8 81.0 1.0 CG D:MET205 4.9 93.9 1.0 N D:ALA238 5.0 66.8 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