Bromine in PDB 5hcj: Cationic Ligand-Gated Ion Channel

The structure of Cationic Ligand-Gated Ion Channel, PDB code: 5hcj was solved by A.Shahsavar, L.Sauguet, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.944, 133.372, 159.337, 90.00, 102.34, 90.00
R / Rfree (%)	21.4 / 21.9

The structure of Cationic Ligand-Gated Ion Channel also contains other interesting chemical elements:

Chlorine	(Cl)	5 atoms
Sodium	(Na)	1 atom

The binding sites of Bromine atom in the Cationic Ligand-Gated Ion Channel (pdb code 5hcj). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Cationic Ligand-Gated Ion Channel, PDB code: 5hcj:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Cationic Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Cationic Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ E:Br402 b:0.5 occ:1.00 BR2 E:MBR402 0.0 0.5 1.0 C1 E:MBR402 1.9 0.8 1.0 BR3 E:MBR402 3.1 0.2 1.0 BR1 E:MBR402 3.2 0.8 1.0 C12 A:LMT401 3.7 65.2 1.0 CG2 E:ILE233 3.7 74.5 1.0 CD1 E:ILE233 3.9 81.2 1.0 CG2 D:ILE233 3.9 72.7 1.0 CG1 E:ILE233 4.4 74.5 1.0 CB E:ILE233 4.5 74.5 1.0 CD1 A:ILE233 4.5 76.8 1.0 CD1 D:ILE233 4.5 78.0 1.0 CG2 A:ILE233 4.6 80.1 1.0 CB D:ILE233 4.7 73.3 1.0 CG2 C:ILE233 4.8 85.0 1.0 C11 A:LMT401 4.8 60.7 1.0

Bromine binding site 2 out of 3 in the Cationic Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Cationic Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ E:Br402 b:0.8 occ:1.00 BR1 E:MBR402 0.0 0.8 1.0 C1 E:MBR402 2.0 0.8 1.0 BR3 E:MBR402 3.1 0.2 1.0 BR2 E:MBR402 3.2 0.5 1.0 OG E:SER230 3.3 99.0 1.0 OG A:SER230 3.9 0.1 1.0 CD1 A:ILE233 4.2 76.8 1.0 NA A:NA403 4.2 0.3 1.0 CB E:SER230 4.3 85.7 1.0 OG D:SER230 4.8 96.5 1.0 CA E:SER230 4.9 82.0 1.0 CD1 E:ILE233 5.0 81.2 1.0

Bromine binding site 3 out of 3 in the Cationic Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Cationic Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ E:Br402 b:0.2 occ:1.00 BR3 E:MBR402 0.0 0.2 1.0 C1 E:MBR402 1.9 0.8 1.0 BR2 E:MBR402 3.1 0.5 1.0 BR1 E:MBR402 3.1 0.8 1.0 CD1 C:ILE233 3.7 84.2 1.0 OG B:SER230 3.7 0.0 1.0 CD1 B:ILE233 3.8 64.4 1.0 CB B:SER230 4.4 88.9 1.0 CG2 B:ILE233 4.4 67.2 1.0 CA B:SER230 4.6 83.0 1.0 CB B:ILE233 4.6 67.9 1.0 CG1 B:ILE233 4.7 67.4 1.0 CG1 C:ILE233 4.7 81.9 1.0 OG A:SER230 4.8 0.1 1.0 OG C:SER230 4.9 0.3 1.0 CG2 C:ILE233 5.0 85.0 1.0

B.Laurent, S.Murail, A.Shahsavar, L.Sauguet, M.Delarue, M.Baaden. Sites of Anesthetic Inhibitory Action on A Cationic Ligand-Gated Ion Channel. Structure V. 24 595 2016.
ISSN: ISSN 0969-2126
PubMed: 27021161
DOI: 10.1016/J.STR.2016.02.014