Bromine in PDB 5sxu: X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State

The structure of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State, PDB code: 5sxu was solved by Q.Chen, M.Kinde, A.Cohen, Y.Xu, P.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.93 / 3.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	105.903, 266.791, 111.109, 90.00, 107.13, 90.00
R / Rfree (%)	20 / 23.9

The structure of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Bromine atom in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State (pdb code 5sxu). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 32 binding sites of Bromine where determined in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State, PDB code: 5sxu:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 32 in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:0.6 occ:1.00 BR1 A:BRJ401 0.0 0.6 1.0 CB A:BRJ401 1.9 0.6 1.0 CB1 A:BRJ401 2.9 0.5 1.0 OB1 A:BRJ401 3.2 0.4 1.0 CB1 A:BRJ402 3.3 0.3 1.0 CE2 A:TYR102 3.3 0.0 1.0 CB A:BRJ402 3.4 0.1 1.0 CD2 A:TYR102 3.7 0.6 1.0 O A:ALA75 3.9 0.5 1.0 CB A:LEU76 3.9 96.7 1.0 OB1 A:BRJ402 4.0 0.2 1.0 CZ A:TYR102 4.2 0.2 1.0 CD1 A:ILE39 4.3 86.8 1.0 CD1 A:LEU76 4.4 99.3 1.0 CG A:LEU76 4.4 91.5 1.0 CG2 A:ILE39 4.5 88.6 1.0 OH A:TYR102 4.5 0.7 1.0 O A:LEU76 4.5 0.3 1.0 CG1 A:ILE39 4.8 92.7 1.0 CG A:TYR102 4.9 0.2 1.0 C A:ALA75 5.0 93.4 1.0

Bromine binding site 2 out of 32 in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State within 5.0Å range: probe atom residue distance (Å) B Occ A:Br402 b:0.1 occ:1.00 BR1 A:BRJ402 0.0 0.1 1.0 CB A:BRJ402 1.9 0.1 1.0 CB1 A:BRJ402 2.7 0.3 1.0 OB1 A:BRJ402 2.9 0.2 1.0 CG A:PRO85 3.7 70.1 1.0 OG1 A:THR87 3.8 92.1 1.0 CE2 A:PHE78 3.9 89.2 1.0 CB A:PHE106 4.0 88.9 1.0 CD2 A:PHE78 4.1 82.2 1.0 CG A:PHE106 4.6 67.8 1.0 CB A:PRO85 4.6 85.5 1.0 CD A:PRO85 4.9 92.2 1.0

Bromine binding site 3 out of 32 in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:0.4 occ:1.00 BR1 A:BRJ403 0.0 0.4 1.0 CB A:BRJ403 1.9 0.6 1.0 CB1 A:BRJ403 2.8 0.2 1.0 OB1 A:BRJ403 3.1 0.7 1.0 CG1 A:ILE162 3.6 0.9 1.0 CD1 A:ILE23 3.9 96.9 1.0 CG1 A:ILE23 3.9 71.4 1.0 CD1 A:ILE162 4.0 0.6 1.0 CG2 A:ILE20 4.4 69.4 1.0 CB A:ILE23 4.5 69.8 1.0 N A:ILE23 4.5 79.7 1.0 CG2 A:ILE162 4.6 0.3 1.0 CB A:ILE162 4.6 99.4 1.0

Bromine binding site 4 out of 32 in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State within 5.0Å range: probe atom residue distance (Å) B Occ A:Br404 b:0.6 occ:1.00 BR1 A:BRJ404 0.0 0.6 1.0 CB A:BRJ404 1.9 0.6 1.0 CB1 A:BRJ404 2.8 0.3 1.0 OB1 A:BRJ404 3.1 0.9 1.0 OG1 A:THR237 3.9 0.4 1.0 OG1 B:THR237 4.1 0.2 1.0 CD2 A:LEU240 4.6 96.2 1.0 OG1 E:THR237 4.7 0.1 1.0 CD2 B:LEU240 4.8 80.6 1.0 CG2 A:THR237 4.9 95.9 1.0 OG1 C:THR237 4.9 0.1 1.0 CB A:THR237 4.9 88.0 1.0

Bromine binding site 5 out of 32 in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State within 5.0Å range: probe atom residue distance (Å) B Occ B:Br401 b:0.4 occ:1.00 BR1 B:BRJ401 0.0 0.4 1.0 CB B:BRJ401 1.9 0.4 1.0 CB1 B:BRJ401 2.9 0.8 1.0 OB1 B:BRJ401 3.2 0.9 1.0 CD1 B:TYR102 3.5 95.9 1.0 CE1 B:TYR102 3.7 90.4 1.0 CD1 B:LEU76 3.7 77.9 1.0 OB1 B:BRJ402 3.9 0.4 1.0 CB1 B:BRJ402 4.0 0.1 1.0 CB B:LEU76 4.1 87.4 1.0 CG B:LEU76 4.2 0.1 1.0 CB B:ALA41 4.3 86.5 1.0 O B:ALA75 4.4 0.7 1.0 CG B:TYR102 4.4 0.3 1.0 CD1 B:ILE39 4.4 79.0 1.0 CG2 B:ILE39 4.5 85.3 1.0 CG1 B:ILE39 4.5 68.5 1.0 CZ B:TYR102 4.6 0.4 1.0 CB B:BRJ402 4.9 0.1 1.0 CB B:TYR102 4.9 97.0 1.0

Bromine binding site 6 out of 32 in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State within 5.0Å range: probe atom residue distance (Å) B Occ B:Br402 b:0.1 occ:1.00 BR1 B:BRJ402 0.0 0.1 1.0 CB B:BRJ402 1.9 0.1 1.0 CB1 B:BRJ402 2.8 0.1 1.0 OB1 B:BRJ402 3.1 0.4 1.0 CE2 B:PHE78 3.5 74.8 1.0 CD2 B:PHE78 3.8 75.5 1.0 CG B:PRO85 3.9 81.8 1.0 CB B:PHE106 3.9 82.3 1.0 OG1 B:THR87 4.0 0.3 1.0 CG B:PHE106 4.5 88.3 1.0 CB B:PRO85 4.7 85.1 1.0 CZ B:PHE78 4.7 0.6 1.0 CD2 B:PHE106 5.0 94.9 1.0

Bromine binding site 7 out of 32 in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State within 5.0Å range: probe atom residue distance (Å) B Occ B:Br403 b:0.1 occ:1.00 BR1 B:BRJ403 0.0 0.1 1.0 CB B:BRJ403 1.9 0.9 1.0 CB1 B:BRJ403 2.8 0.7 1.0 OB1 B:BRJ403 3.2 0.8 1.0 CD1 B:ILE23 3.6 0.1 1.0 CG2 B:ILE20 3.6 76.9 1.0 CG1 B:ILE23 3.7 78.0 1.0 CD1 B:ILE195 4.4 78.2 1.0 CG2 B:THR149 4.6 88.8 1.0 CB B:THR149 4.6 84.1 1.0 CB B:ILE23 4.6 90.8 1.0 CG1 B:ILE162 4.7 99.2 1.0 O B:ILE20 4.7 81.9 1.0 N B:ILE23 4.7 73.2 1.0 CB B:ILE20 4.8 69.6 1.0 CD1 B:ILE162 4.9 79.2 1.0 CG2 B:ILE162 5.0 83.8 1.0

Bromine binding site 8 out of 32 in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State within 5.0Å range: probe atom residue distance (Å) B Occ C:Br401 b:0.4 occ:1.00 BR1 C:BRJ401 0.0 0.4 1.0 CB C:BRJ401 1.9 0.2 1.0 CB1 C:BRJ401 2.9 86.8 1.0 OB1 C:BRJ401 3.2 91.8 1.0 CD2 C:TYR102 3.4 68.3 1.0 CD1 C:LEU76 3.6 80.3 1.0 CE2 C:TYR102 3.7 66.1 1.0 CB C:LEU76 4.0 74.9 1.0 CG C:LEU76 4.0 87.6 1.0 CB1 C:BRJ402 4.1 0.7 1.0 O C:ALA75 4.1 0.3 1.0 CB C:ALA41 4.2 0.8 1.0 OB1 C:BRJ402 4.3 0.3 1.0 CG C:TYR102 4.3 78.1 1.0 CD1 C:ILE39 4.4 82.6 1.0 CG1 C:ILE39 4.6 80.9 1.0 CG2 C:ILE39 4.6 92.3 1.0 CZ C:TYR102 4.7 78.6 1.0 CB C:TYR102 4.8 75.0 1.0 CB C:BRJ402 5.0 0.5 1.0

Bromine binding site 9 out of 32 in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State within 5.0Å range: probe atom residue distance (Å) B Occ C:Br402 b:0.2 occ:1.00 BR1 C:BRJ402 0.0 0.2 1.0 CB C:BRJ402 1.9 0.5 1.0 CB1 C:BRJ402 2.8 0.7 1.0 OB1 C:BRJ402 3.2 0.3 1.0 CE2 C:PHE78 3.4 74.8 1.0 CB C:PHE106 3.7 73.0 1.0 CD2 C:PHE78 3.7 71.7 1.0 OG1 C:THR87 3.7 99.3 1.0 CG C:PRO85 3.8 75.7 1.0 CG C:PHE106 4.4 58.0 1.0 CZ C:PHE78 4.6 82.8 1.0 CB C:PRO85 4.6 73.5 1.0 CD2 C:PHE106 4.9 67.7 1.0 CA C:PHE106 4.9 67.0 1.0

Bromine binding site 10 out of 32 in the X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Desensitized State within 5.0Å range: probe atom residue distance (Å) B Occ C:Br403 b:0.1 occ:1.00 BR1 C:BRJ403 0.0 0.1 1.0 CB C:BRJ403 1.9 0.8 1.0 CB1 C:BRJ403 2.8 0.5 1.0 OB1 C:BRJ403 3.1 0.3 1.0 CG1 C:ILE162 3.7 0.8 1.0 CD1 C:ILE162 4.0 86.0 1.0 CD1 C:ILE23 4.1 74.2 1.0 CG1 C:ILE23 4.1 81.8 1.0 CG2 C:ILE20 4.1 95.4 1.0 CG2 C:ILE162 4.2 0.7 1.0 CB C:ILE162 4.5 0.2 1.0 CB C:THR149 4.6 96.3 1.0 CG2 C:THR149 4.8 0.5 1.0 N C:ILE23 4.8 0.5 1.0 CD1 C:ILE195 4.8 94.1 1.0 CB C:ILE23 4.9 81.1 1.0 CG2 C:ILE195 5.0 67.4 1.0

Q.Chen, M.M.Wells, T.S.Tillman, M.N.Kinde, A.Cohen, Y.Xu, P.Tang. Structural Basis of Alcohol Inhibition of the Pentameric Ligand-Gated Ion Channel Elic. Structure V. 25 180 2017.
ISSN: ISSN 1878-4186
PubMed: 27916519
DOI: 10.1016/J.STR.2016.11.007