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

The structure of X-Ray Structure of 2-Bromoethanol Bound to A Pentameric Ligand Gated Ion Channel (Elic) in A Resting State, PDB code: 5sxv 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)	29.74 / 3.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	105.747, 266.935, 111.416, 90.00, 107.04, 90.00
R / Rfree (%)	21.5 / 25.9

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 Resting State (pdb code 5sxv). 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 Resting State, PDB code: 5sxv:
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 Resting 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 Resting State within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:1.0 occ:1.00 BR1 A:BRJ401 0.0 1.0 1.0 CB A:BRJ401 1.9 0.6 1.0 CB1 A:BRJ401 2.8 0.1 1.0 OB1 A:BRJ401 3.1 0.6 1.0 CD1 A:TYR102 3.2 0.1 1.0 CE1 A:TYR102 3.3 0.6 1.0 CG A:TYR102 4.1 99.7 1.0 CG2 A:ILE39 4.1 0.2 1.0 CZ A:TYR102 4.2 0.1 1.0 CD1 A:ILE39 4.3 98.3 1.0 CB A:BRJ402 4.3 1.0 1.0 CD1 A:LEU76 4.4 0.4 1.0 CB A:ALA41 4.4 0.1 1.0 CB1 A:BRJ402 4.4 0.7 1.0 CG1 A:ILE39 4.5 0.7 1.0 CB A:LEU76 4.6 0.3 1.0 CG A:LEU76 4.7 0.5 1.0 OB1 A:BRJ402 4.7 0.2 1.0 CB A:TYR102 4.8 96.2 1.0 CD2 A:TYR102 4.9 0.2 1.0 OH A:TYR102 4.9 0.5 1.0 CE2 A:TYR102 5.0 0.6 1.0 CB A:ILE39 5.0 0.4 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 Resting 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 Resting State within 5.0Å range: probe atom residue distance (Å) B Occ A:Br402 b:0.7 occ:1.00 BR1 A:BRJ402 0.0 0.7 1.0 CB A:BRJ402 1.9 1.0 1.0 CB1 A:BRJ402 2.8 0.7 1.0 OB1 A:BRJ402 3.1 0.2 1.0 CE2 A:PHE78 3.5 89.4 1.0 CB A:PHE106 3.8 0.6 1.0 CD2 A:PHE78 3.8 92.2 1.0 CG A:PRO85 3.9 82.4 1.0 CG A:PHE106 4.2 89.2 1.0 OG1 A:THR87 4.3 99.5 1.0 CB A:PRO85 4.6 91.5 1.0 CZ A:PHE78 4.7 89.2 1.0 CD2 A:PHE106 4.7 83.3 1.0 CG2 A:ILE39 4.7 0.2 1.0 CD1 A:PHE106 4.7 91.0 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 Resting 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 Resting State within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:0.0 occ:1.00 BR1 A:BRJ403 0.0 0.0 1.0 CB A:BRJ403 1.9 0.8 1.0 CB1 A:BRJ403 2.8 0.1 1.0 OB1 A:BRJ403 3.1 0.7 1.0 CG1 A:ILE23 3.6 93.0 1.0 CG2 A:ILE20 3.6 89.5 1.0 CD1 A:ILE23 3.7 0.3 1.0 N A:ILE23 4.1 89.6 1.0 CB A:ILE23 4.4 92.1 1.0 N A:LYS22 4.5 97.0 1.0 C A:LYS22 4.6 92.7 1.0 CA A:LYS22 4.6 98.8 1.0 CG1 A:ILE162 4.6 0.5 1.0 CB A:ILE20 4.7 85.7 1.0 O A:ILE20 4.7 0.5 1.0 C A:ASN21 4.8 99.3 1.0 O A:ASN21 4.8 0.8 1.0 CD1 A:ILE162 4.9 0.1 1.0 CA A:ILE23 4.9 90.2 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 Resting 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 Resting State within 5.0Å range: probe atom residue distance (Å) B Occ B:Br401 b:0.5 occ:1.00 BR1 B:BRJ401 0.0 0.5 1.0 CB B:BRJ401 1.9 0.7 1.0 CB1 B:BRJ401 2.8 90.1 1.0 OB1 B:BRJ401 3.1 0.9 1.0 CB B:LEU76 3.7 0.7 1.0 CD1 B:LEU76 3.9 93.0 1.0 CD1 B:TYR102 3.9 0.9 1.0 CE1 B:TYR102 3.9 0.6 1.0 CG B:LEU76 4.0 98.7 1.0 CD1 B:ILE39 4.3 81.5 1.0 CB1 B:BRJ402 4.4 0.8 1.0 O B:LEU76 4.5 80.9 1.0 OB1 B:BRJ402 4.6 0.6 1.0 N B:LEU76 4.6 84.2 1.0 CA B:LEU76 4.7 88.5 1.0 CG B:TYR102 4.7 99.6 1.0 CG2 B:ILE39 4.7 87.6 1.0 CZ B:TYR102 4.7 93.6 1.0 CB B:ALA41 4.7 91.2 1.0 CG1 B:ILE39 4.8 77.3 1.0 O B:PRO74 4.8 0.5 1.0 CB B:BRJ402 4.9 0.7 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 Resting 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 Resting State within 5.0Å range: probe atom residue distance (Å) B Occ B:Br402 b:1.0 occ:1.00 BR1 B:BRJ402 0.0 1.0 1.0 CB B:BRJ402 1.9 0.7 1.0 CB1 B:BRJ402 2.8 0.8 1.0 OB1 B:BRJ402 3.1 0.6 1.0 CE2 B:PHE78 3.3 65.3 1.0 CB B:PHE106 3.3 86.2 1.0 CD2 B:PHE78 3.5 70.9 1.0 CG B:PRO85 3.8 93.3 1.0 CG B:PHE106 3.8 82.2 1.0 CB B:PRO85 4.3 87.5 1.0 CD2 B:PHE106 4.3 86.1 1.0 OG1 B:THR87 4.5 0.7 1.0 CZ B:PHE78 4.5 74.5 1.0 CD1 B:PHE106 4.5 83.2 1.0 CA B:PHE106 4.7 76.5 1.0 CG B:PHE78 4.9 75.2 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 Resting 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 Resting State within 5.0Å range: probe atom residue distance (Å) B Occ B:Br403 b:0.6 occ:1.00 BR1 B:BRJ403 0.0 0.6 1.0 CB B:BRJ403 1.9 0.9 1.0 CB1 B:BRJ403 2.8 99.3 1.0 OB1 B:BRJ403 3.1 0.6 1.0 CD1 B:ILE23 3.4 91.2 1.0 CG1 B:ILE162 3.7 0.1 1.0 CD1 B:ILE162 3.8 99.7 1.0 CG1 B:ILE23 3.8 83.3 1.0 CG2 B:ILE195 3.9 74.0 1.0 CD1 B:ILE195 4.0 77.5 1.0 CG2 B:ILE162 4.2 0.7 1.0 CG2 B:ILE20 4.4 74.4 1.0 CB B:ILE23 4.4 81.3 1.0 CB B:ILE162 4.6 0.0 1.0 CB B:ILE195 4.9 70.1 1.0 CG1 B:ILE195 5.0 77.8 1.0 N B:ILE23 5.0 88.0 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 Resting 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 Resting State within 5.0Å range: probe atom residue distance (Å) B Occ C:Br401 b:0.9 occ:1.00 BR1 C:BRJ401 0.0 0.9 1.0 CB C:BRJ401 1.9 0.1 1.0 CB1 C:BRJ401 2.8 0.3 1.0 OB1 C:BRJ401 3.1 0.3 1.0 CD1 C:ILE39 3.5 92.3 1.0 CD1 C:LEU76 3.8 93.3 1.0 CB C:LEU76 3.9 83.5 1.0 CG1 C:ILE39 3.9 86.1 1.0 CB C:BRJ402 4.0 1.0 1.0 CG2 C:ILE39 4.0 95.3 1.0 CG C:LEU76 4.1 82.6 1.0 CD1 C:TYR102 4.1 80.1 1.0 CE1 C:TYR102 4.2 86.5 1.0 CB1 C:BRJ402 4.4 0.8 1.0 CB C:ALA41 4.5 0.4 1.0 CB C:ILE39 4.6 90.8 1.0 O C:LEU76 4.8 82.4 1.0 CA C:LEU76 5.0 81.7 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 Resting 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 Resting State within 5.0Å range: probe atom residue distance (Å) B Occ C:Br402 b:0.0 occ:1.00 BR1 C:BRJ402 0.0 0.0 1.0 CB C:BRJ402 1.9 1.0 1.0 CB1 C:BRJ402 2.8 0.8 1.0 OB1 C:BRJ402 3.1 0.7 1.0 CE2 C:PHE78 3.6 74.0 1.0 CB C:PHE106 3.7 75.4 1.0 OG1 C:THR87 4.1 0.4 1.0 CD2 C:PHE78 4.1 72.1 1.0 CG C:PHE106 4.3 79.9 1.0 CG C:PRO85 4.4 74.8 1.0 CG2 C:ILE39 4.5 95.3 1.0 CD2 C:PHE106 4.6 77.4 1.0 CZ C:PHE78 4.6 82.8 1.0 CA C:PHE106 5.0 77.8 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 Resting 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 Resting State within 5.0Å range: probe atom residue distance (Å) B Occ C:Br403 b:0.4 occ:1.00 BR1 C:BRJ403 0.0 0.4 1.0 CB C:BRJ403 1.9 0.2 1.0 CB1 C:BRJ403 2.8 0.3 1.0 OB1 C:BRJ403 3.1 0.9 1.0 CG1 C:ILE162 3.6 0.3 1.0 CD1 C:ILE23 3.9 72.4 1.0 CD1 C:ILE162 4.0 94.8 1.0 CG1 C:ILE23 4.2 76.7 1.0 CG2 C:ILE20 4.4 81.3 1.0 CB C:ILE162 4.6 0.6 1.0 CG2 C:ILE162 4.6 0.6 1.0 CD1 C:ILE152 4.6 0.9 1.0 CG2 C:ILE195 4.7 83.8 1.0 CB C:THR149 4.8 0.7 1.0 CD1 C:ILE195 4.8 79.3 1.0 CB C:ILE23 4.9 94.5 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 Resting 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 Resting State within 5.0Å range: probe atom residue distance (Å) B Occ D:Br401 b:0.5 occ:1.00 BR1 D:BRJ401 0.0 0.5 1.0 CB D:BRJ401 1.9 94.8 1.0 CB1 D:BRJ401 2.8 0.6 1.0 OB1 D:BRJ401 3.1 0.2 1.0 CD2 D:TYR102 3.6 81.0 1.0 CE2 D:TYR102 3.7 93.0 1.0 CD1 D:LEU76 3.7 89.9 1.0 CB D:LEU76 3.7 0.3 1.0 CB1 D:BRJ402 3.8 94.8 1.0 OB1 D:BRJ402 3.8 0.0 1.0 CG D:LEU76 3.9 85.7 1.0 CD1 D:ILE39 4.3 69.6 1.0 CB D:ALA41 4.5 90.2 1.0 CG D:TYR102 4.5 87.7 1.0 O D:LEU76 4.7 67.4 1.0 CZ D:TYR102 4.7 0.9 1.0 N D:LEU76 4.7 83.5 1.0 CA D:LEU76 4.7 95.8 1.0 O D:PRO74 4.7 0.0 1.0 CG2 D:ILE39 4.8 70.4 1.0 CG1 D:ILE39 4.8 63.1 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