Bromine in PDB 5hcm: The Glic Pentameric Ligand-Gated Ion Channel 2-21' Cross-Linked Mutant Complexed to Bromoform

The structure of The Glic Pentameric Ligand-Gated Ion Channel 2-21' Cross-Linked Mutant Complexed to Bromoform, PDB code: 5hcm 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)	31.75 / 3.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	177.268, 130.934, 155.760, 90.00, 100.31, 90.00
R / Rfree (%)	23 / 24

The binding sites of Bromine atom in the The Glic Pentameric Ligand-Gated Ion Channel 2-21' Cross-Linked Mutant Complexed to Bromoform (pdb code 5hcm). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the The Glic Pentameric Ligand-Gated Ion Channel 2-21' Cross-Linked Mutant Complexed to Bromoform, PDB code: 5hcm:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the The Glic Pentameric Ligand-Gated Ion Channel 2-21' Cross-Linked Mutant Complexed to Bromoform


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 2-21' Cross-Linked Mutant Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ D:Br401 b:0.0 occ:1.00 BR2 D:MBR401 0.0 0.0 1.0 C1 D:MBR401 1.9 0.9 1.0 BR3 D:MBR401 2.9 0.9 1.0 BR1 D:MBR401 3.0 0.6 1.0 CD1 D:ILE233 3.2 69.3 1.0 CD1 C:ILE233 3.6 64.6 1.0 OG C:SER230 3.9 82.5 1.0 CG2 C:ILE233 4.1 61.2 1.0 CB C:ILE233 4.2 60.6 1.0 CB C:SER230 4.3 70.2 1.0 CA C:SER230 4.5 65.3 1.0 CG1 D:ILE233 4.5 61.8 1.0 CG1 C:ILE233 4.5 60.9 1.0 C1 C:LMT401 4.6 60.5 1.0 CG2 D:ILE233 4.7 61.3 1.0 O C:SER230 4.9 67.5 1.0 CB D:ILE233 4.9 61.0 1.0

Bromine binding site 2 out of 3 in the The Glic Pentameric Ligand-Gated Ion Channel 2-21' Cross-Linked Mutant Complexed to Bromoform


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 2-21' Cross-Linked Mutant Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ D:Br401 b:0.6 occ:1.00 BR1 D:MBR401 0.0 0.6 1.0 C1 D:MBR401 1.9 0.9 1.0 BR3 D:MBR401 3.0 0.9 1.0 BR2 D:MBR401 3.0 0.0 1.0 OG B:SER230 4.1 79.8 1.0 OG A:SER230 4.1 84.1 1.0 CD1 B:ILE233 4.8 65.2 1.0 OG C:SER230 4.9 82.5 1.0 OG E:SER230 4.9 82.2 1.0

Bromine binding site 3 out of 3 in the The Glic Pentameric Ligand-Gated Ion Channel 2-21' Cross-Linked Mutant Complexed to Bromoform


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 2-21' Cross-Linked Mutant Complexed to Bromoform within 5.0Å range: probe atom residue distance (Å) B Occ D:Br401 b:0.9 occ:1.00 BR3 D:MBR401 0.0 0.9 1.0 C1 D:MBR401 1.9 0.9 1.0 BR2 D:MBR401 2.9 0.0 1.0 BR1 D:MBR401 3.0 0.6 1.0 C1 C:LMT401 3.4 60.5 1.0 CD1 B:ILE233 4.0 65.2 1.0 CG2 A:ILE233 4.0 65.9 1.0 CD1 A:ILE233 4.1 72.3 1.0 CG2 B:ILE233 4.3 56.6 1.0 C2 C:LMT401 4.5 59.9 1.0 CG2 E:ILE233 4.6 62.1 1.0 CB A:ILE233 4.7 64.8 1.0 CG1 A:ILE233 4.9 65.5 1.0 CD1 C:ILE233 4.9 64.6 1.0 CD1 E:ILE233 4.9 67.7 1.0 CG1 B:ILE233 4.9 57.8 1.0 CB B:ILE233 5.0 57.1 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