Bromine in PDB 4il9: The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide

The structure of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide, PDB code: 4il9 was solved by L.Sauguet, P.J.Corringer, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.77 / 2.83
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	180.520, 132.140, 159.960, 90.00, 102.16, 90.00
R / Rfree (%)	20.1 / 21.4

The structure of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Bromine atom in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide (pdb code 4il9). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide, PDB code: 4il9:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br407 b:64.4 occ:1.00 N A:ARG85 3.5 47.4 1.0 N A:PHE78 3.5 49.2 1.0 NH1 A:ARG85 3.5 45.9 1.0 O A:HOH508 3.6 47.4 1.0 CD2 A:PHE78 3.8 63.0 1.0 CA A:ALA84 3.9 48.7 1.0 CG A:ARG85 4.0 37.7 1.0 CB A:PHE78 4.0 53.4 1.0 CB A:ARG85 4.0 42.0 1.0 CA A:ARG77 4.1 46.3 1.0 CG2 A:VAL81 4.1 48.9 1.0 CD A:ARG85 4.2 43.8 1.0 C A:ALA84 4.2 53.4 1.0 C A:ARG77 4.3 51.6 1.0 CA A:PHE78 4.3 49.7 1.0 CB A:ARG77 4.3 44.4 1.0 CG A:PHE78 4.4 58.1 1.0 CB A:ALA84 4.4 49.6 1.0 CA A:ARG85 4.4 45.6 1.0 O A:PHE78 4.4 49.1 1.0 CZ A:ARG85 4.6 61.6 1.0 CG A:ARG77 4.7 54.5 1.0 CE2 A:PHE78 4.8 67.4 1.0 NE A:ARG85 4.8 50.0 1.0 C A:PHE78 4.9 48.9 1.0

Bromine binding site 2 out of 12 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br408 b:93.2 occ:1.00 OD1 A:ASN139 3.1 64.4 1.0 N A:LEU180 3.3 45.5 1.0 CA A:ARG179 3.8 49.2 1.0 CB A:LEU180 3.8 45.2 1.0 C A:ARG179 4.0 50.4 1.0 CA A:LEU180 4.1 44.8 1.0 CB A:SER134 4.2 47.7 1.0 CD A:ARG179 4.2 57.4 1.0 CG A:ASN139 4.3 70.0 1.0 O A:ASP178 4.3 61.3 1.0 CB A:ARG179 4.4 45.7 1.0 OG A:SER134 4.7 56.7 1.0 CG A:ARG179 4.7 52.4 1.0 N A:ARG179 4.8 51.6 1.0 ND2 A:ASN139 5.0 58.4 1.0 C A:ASP178 5.0 59.3 1.0

Bromine binding site 3 out of 12 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br409 b:0.9 occ:1.00 OE1 A:GLU222 3.1 95.4 1.0 N A:TYR221 3.5 48.1 1.0 NZ A:LYS280 3.5 74.6 1.0 CB A:TYR221 3.7 49.0 1.0 O A:THR219 3.8 57.7 1.0 CE A:LYS280 3.8 67.9 1.0 CD2 A:HIS277 3.9 60.1 1.0 CD A:LYS280 4.0 60.5 1.0 CD A:GLU222 4.1 0.5 1.0 O A:HOH515 4.2 40.4 1.0 CA A:TYR221 4.2 47.4 1.0 OE2 A:GLU222 4.3 0.0 1.0 CA A:SER220 4.3 47.4 1.0 C A:SER220 4.4 52.9 1.0 NE2 A:HIS277 4.4 60.5 1.0 C A:THR219 4.8 56.9 1.0 N A:GLU222 4.9 51.6 1.0 CG A:TYR221 5.0 50.9 1.0

Bromine binding site 4 out of 12 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br407 b:64.0 occ:1.00 N B:PHE78 3.4 47.5 1.0 NH1 B:ARG85 3.5 40.5 1.0 N B:ARG85 3.5 50.7 1.0 CD2 B:PHE78 3.7 61.0 1.0 CB B:PHE78 3.9 52.2 1.0 CA B:ALA84 3.9 54.2 1.0 CG B:ARG85 4.0 47.2 1.0 CB B:ARG85 4.1 46.6 1.0 CA B:ARG77 4.1 44.9 1.0 CG2 B:VAL81 4.1 45.5 1.0 CD B:ARG85 4.2 45.4 1.0 CA B:PHE78 4.2 49.1 1.0 C B:ARG77 4.2 48.3 1.0 C B:ALA84 4.2 58.0 1.0 CG B:PHE78 4.3 56.6 1.0 CB B:ARG77 4.4 41.6 1.0 O B:PHE78 4.4 54.7 1.0 CB B:ALA84 4.4 55.3 1.0 CA B:ARG85 4.4 49.1 1.0 CZ B:ARG85 4.5 56.5 1.0 CE2 B:PHE78 4.7 64.7 1.0 CG B:ARG77 4.7 50.2 1.0 NE B:ARG85 4.8 51.1 1.0 C B:PHE78 4.8 52.9 1.0

Bromine binding site 5 out of 12 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br408 b:0.3 occ:1.00 NZ B:LYS280 3.3 97.7 1.0 OE1 B:GLU222 3.3 72.6 1.0 N B:TYR221 3.4 46.6 1.0 O B:THR219 3.5 56.6 1.0 CB B:TYR221 3.7 46.8 1.0 CE B:LYS280 3.8 86.0 1.0 CD2 B:HIS277 3.9 61.5 1.0 O B:HOH515 3.9 35.8 1.0 CA B:TYR221 4.2 46.0 1.0 CA B:SER220 4.2 44.3 1.0 CD B:LYS280 4.3 72.0 1.0 CD B:GLU222 4.3 92.3 1.0 C B:SER220 4.3 49.9 1.0 NE2 B:HIS277 4.3 62.1 1.0 C B:THR219 4.5 54.5 1.0 OE2 B:GLU222 4.5 84.0 1.0 N B:SER220 4.8 46.5 1.0

Bromine binding site 6 out of 12 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ C:Br407 b:62.1 occ:1.00 N C:PHE78 3.4 50.0 1.0 NH1 C:ARG85 3.5 37.7 1.0 N C:ARG85 3.5 51.8 1.0 CD2 C:PHE78 3.7 60.7 1.0 CB C:PHE78 3.9 53.0 1.0 CG C:ARG85 4.0 39.3 1.0 CA C:ALA84 4.0 48.9 1.0 CB C:ARG85 4.1 46.4 1.0 CA C:ARG77 4.1 46.8 1.0 CG2 C:VAL81 4.1 47.6 1.0 CD C:ARG85 4.1 45.5 1.0 C C:ARG77 4.2 52.1 1.0 CA C:PHE78 4.2 50.5 1.0 CG C:PHE78 4.3 56.9 1.0 C C:ALA84 4.3 54.7 1.0 CB C:ARG77 4.3 43.6 1.0 O C:PHE78 4.4 55.4 1.0 CA C:ARG85 4.4 50.4 1.0 CB C:ALA84 4.5 50.1 1.0 CZ C:ARG85 4.5 56.3 1.0 CG C:ARG77 4.7 53.2 1.0 CE2 C:PHE78 4.7 63.9 1.0 NE C:ARG85 4.8 48.9 1.0 C C:PHE78 4.8 53.7 1.0

Bromine binding site 7 out of 12 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ C:Br408 b:0.7 occ:1.00 N C:TYR221 3.5 49.5 1.0 OE1 C:GLU222 3.5 83.5 1.0 CB C:TYR221 3.6 49.4 1.0 NZ C:LYS280 3.7 84.8 1.0 O C:THR219 3.7 61.8 1.0 OE2 C:GLU222 3.8 87.5 1.0 CD2 C:HIS277 3.9 60.6 1.0 CE C:LYS280 4.0 81.8 1.0 CD C:GLU222 4.1 95.2 1.0 O C:HOH518 4.1 44.4 1.0 CD C:LYS280 4.1 73.0 1.0 CA C:TYR221 4.2 48.1 1.0 CA C:SER220 4.3 51.8 1.0 NE2 C:HIS277 4.4 60.8 1.0 C C:SER220 4.4 55.3 1.0 C C:THR219 4.7 60.7 1.0 CG C:TYR221 5.0 50.7 1.0

Bromine binding site 8 out of 12 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ D:Br407 b:67.4 occ:1.00 NH1 D:ARG85 3.4 40.1 1.0 N D:PHE78 3.4 45.7 1.0 N D:ARG85 3.4 49.0 1.0 CD2 D:PHE78 3.7 56.6 1.0 CG D:ARG85 3.9 43.1 1.0 CA D:ALA84 4.0 51.0 1.0 CB D:PHE78 4.0 48.7 1.0 CB D:ARG85 4.0 45.1 1.0 CA D:ARG77 4.1 44.4 1.0 CD D:ARG85 4.1 47.5 1.0 CG2 D:VAL81 4.2 44.3 1.0 C D:ALA84 4.2 55.4 1.0 C D:ARG77 4.2 48.7 1.0 CA D:PHE78 4.3 46.2 1.0 CG D:PHE78 4.3 52.4 1.0 CB D:ARG77 4.3 42.6 1.0 CA D:ARG85 4.3 47.6 1.0 CB D:ALA84 4.4 52.3 1.0 O D:PHE78 4.5 51.1 1.0 CZ D:ARG85 4.5 59.1 1.0 CG D:ARG77 4.7 46.0 1.0 CE2 D:PHE78 4.7 60.3 1.0 O C:HOH517 4.7 55.8 1.0 NE D:ARG85 4.7 56.6 1.0 C D:PHE78 4.9 49.6 1.0 O D:ILE76 5.0 50.1 1.0

Bromine binding site 9 out of 12 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ D:Br408 b:79.8 occ:1.00 OD1 D:ASN139 3.2 63.7 1.0 N D:LEU180 3.5 45.2 1.0 CB D:LEU180 3.6 45.6 1.0 CB D:SER134 3.9 54.7 1.0 CA D:ARG179 4.0 45.7 1.0 CD D:ARG179 4.2 64.3 1.0 C D:ARG179 4.3 49.0 1.0 CA D:LEU180 4.3 44.7 1.0 CB D:ARG179 4.4 42.2 1.0 CG D:ASN139 4.5 89.4 1.0 CD1 D:LEU180 4.5 51.9 1.0 OG D:SER134 4.6 63.0 1.0 CG D:ARG179 4.6 55.3 1.0 O D:VAL135 4.7 61.9 1.0 CG D:LEU180 4.7 51.7 1.0 O D:ASP178 4.8 56.2 1.0

Bromine binding site 10 out of 12 in the The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of The Pentameric Ligand-Gated Ion Channel Glic A237F in Complex with Bromide within 5.0Å range: probe atom residue distance (Å) B Occ D:Br409 b:0.1 occ:1.00 N D:TYR221 3.4 49.3 1.0 OE1 D:GLU222 3.5 90.7 1.0 O D:THR219 3.6 61.7 1.0 CB D:TYR221 3.7 49.9 1.0 NZ D:LYS280 3.9 99.6 1.0 CD2 D:HIS277 4.0 59.1 1.0 O D:HOH507 4.0 35.4 1.0 CE D:LYS280 4.1 93.3 1.0 CA D:TYR221 4.1 48.3 1.0 CA D:SER220 4.2 53.0 1.0 C D:SER220 4.3 54.4 1.0 CD D:GLU222 4.3 0.8 1.0 OE2 D:GLU222 4.4 99.2 1.0 NE2 D:HIS277 4.5 59.8 1.0 C D:THR219 4.6 60.2 1.0 CD D:LYS280 4.8 83.2 1.0 N D:SER220 4.8 54.2 1.0 N D:GLU222 5.0 51.6 1.0

L.Sauguet, F.Poitevin, S.Murail, C.Van Renterghem, G.Moraga-Cid, L.Malherbe, A.W.Thompson, P.Koehl, P.J.Corringer, M.Baaden, M.Delarue. Structural Basis For Ion Permeation Mechanism in Pentameric Ligand-Gated Ion Channels. Embo J. V. 32 728 2013.
ISSN: ISSN 0261-4189
PubMed: 23403925
DOI: 10.1038/EMBOJ.2013.17