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

Protein crystallography data

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

Bromine Binding Sites:

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 5sxv

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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 5sxv

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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 5sxv

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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 5sxv

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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 5sxv

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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 5sxv

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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 5sxv

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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 5sxv

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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 5sxv

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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 5sxv

Go back to Bromine Binding Sites List in 5sxv
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

Reference:

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
Page generated: Sat Dec 12 02:30:32 2020

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