Bromine in PDB 4qh1: The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate

The structure of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate, PDB code: 4qh1 was solved by Z.Fourati, M.Delarue, L.Sauguet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.431, 134.021, 158.861, 90.00, 101.86, 90.00
R / Rfree (%)	20.2 / 22.5

The structure of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate also contains other interesting chemical elements:

Sodium

(Na)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Bromine atom in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate (pdb code 4qh1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 15 binding sites of Bromine where determined in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate, PDB code: 4qh1:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 15 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate


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 (Wild-Type) in Complex with Bromoacetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:0.8 occ:1.00 N A:PHE78 3.4 0.6 1.0 NH1 A:ARG85 3.6 0.9 1.0 N A:ARG85 3.6 0.2 1.0 CD2 A:PHE78 3.9 0.4 1.0 CG2 A:VAL81 4.0 0.5 1.0 CA A:ALA84 4.0 0.9 1.0 CB A:PHE78 4.0 0.3 1.0 CA A:ARG77 4.0 94.4 1.0 CG A:ARG85 4.1 0.2 1.0 C A:ARG77 4.2 0.6 1.0 CA A:PHE78 4.2 0.0 1.0 O A:PHE78 4.3 0.6 1.0 CB A:ARG77 4.3 93.7 1.0 CB A:ARG85 4.3 0.3 1.0 C A:ALA84 4.4 0.1 1.0 CG A:PHE78 4.4 0.1 1.0 CB A:ALA84 4.5 0.6 1.0 CD A:ARG85 4.5 0.7 1.0 CG A:ARG77 4.5 0.5 1.0 CA A:ARG85 4.6 0.6 1.0 CZ A:ARG85 4.7 1.0 1.0 C A:PHE78 4.7 0.9 1.0 CE2 A:PHE78 4.9 0.5 1.0

Bromine binding site 2 out of 15 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate


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 (Wild-Type) in Complex with Bromoacetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Br402 b:0.1 occ:0.20 BR2 A:BXA402 0.0 0.1 0.2 C2 A:BXA402 2.0 0.2 1.0 H2 A:BXA402 2.5 0.3 1.0 H2A A:BXA402 2.5 0.3 1.0 C1 A:BXA402 3.0 0.7 1.0 O2 A:BXA402 3.5 0.7 1.0 CD2 A:LEU176 3.6 0.8 1.0 OE2 A:GLU181 3.8 0.3 1.0 O1 A:BXA402 3.8 0.5 1.0 CG1 E:ILE25 4.0 99.9 1.0 CE2 E:PHE42 4.1 0.2 1.0 CD1 E:ILE25 4.2 0.7 1.0 CD1 A:ILE131 4.3 0.6 1.0 HO2 A:BXA402 4.4 0.7 1.0 CG2 E:ILE25 4.4 98.2 1.0 CZ E:PHE42 4.4 0.1 1.0 CD A:GLU181 4.5 0.1 1.0 OE1 A:GLU181 4.8 0.3 1.0 CB E:ILE25 4.8 98.5 1.0 CD2 E:PHE42 4.9 0.8 1.0 CG1 A:VAL79 4.9 0.5 1.0 CG2 A:VAL79 5.0 0.2 1.0

Bromine binding site 3 out of 15 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate


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 (Wild-Type) in Complex with Bromoacetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:0.0 occ:0.20 BR2 A:BXA403 0.0 0.0 0.2 C2 A:BXA403 2.0 0.5 1.0 H2 A:BXA403 2.5 0.4 1.0 H2A A:BXA403 2.5 0.2 1.0 C1 A:BXA403 2.9 0.1 1.0 O A:ILE76 3.2 95.1 1.0 O1 A:BXA403 3.2 0.0 1.0 N A:ILE76 3.4 94.1 1.0 CA A:GLU75 3.6 0.3 1.0 C A:GLU75 3.7 99.8 1.0 C A:ILE76 4.0 96.0 1.0 NH2 A:ARG85 4.1 95.0 1.0 CB A:GLU75 4.1 0.1 1.0 O2 A:BXA403 4.2 0.1 1.0 CA A:ILE76 4.3 92.4 1.0 CG A:GLU75 4.4 0.3 1.0 O A:PRO74 4.4 0.6 1.0 N A:GLU75 4.7 0.2 1.0 O A:GLU75 4.7 98.4 1.0 NH1 A:ARG85 4.8 0.9 1.0 CG A:ARG77 4.8 0.5 1.0 CZ A:ARG85 4.8 1.0 1.0 HO2 A:BXA403 4.9 0.6 1.0

Bromine binding site 4 out of 15 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate within 5.0Å range: probe atom residue distance (Å) B Occ B:Br401 b:0.8 occ:1.00 N B:PHE78 3.2 0.6 1.0 CD2 B:PHE78 3.7 0.2 1.0 NH1 B:ARG85 3.7 0.7 1.0 N B:ARG85 3.7 0.5 1.0 CB B:PHE78 3.8 0.6 1.0 CG2 B:VAL81 3.8 97.8 1.0 CA B:PHE78 4.0 0.4 1.0 CA B:ARG77 4.0 99.1 1.0 C B:ARG77 4.1 0.3 1.0 O B:PHE78 4.1 0.8 1.0 CA B:ALA84 4.1 0.7 1.0 CG B:PHE78 4.2 0.6 1.0 CG B:ARG85 4.2 0.0 1.0 CB B:ARG77 4.3 96.3 1.0 CB B:ARG85 4.3 0.4 1.0 C B:ALA84 4.5 0.9 1.0 C B:PHE78 4.5 0.1 1.0 CD B:ARG85 4.6 0.5 1.0 CG B:ARG77 4.6 0.6 1.0 CB B:ALA84 4.6 0.9 1.0 CA B:ARG85 4.7 0.9 1.0 CE2 B:PHE78 4.8 0.9 1.0 CZ B:ARG85 4.8 0.5 1.0 CB B:VAL81 5.0 97.0 1.0

Bromine binding site 5 out of 15 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate within 5.0Å range: probe atom residue distance (Å) B Occ B:Br402 b:0.8 occ:0.20 BR2 B:BXA402 0.0 0.8 0.2 C2 B:BXA402 2.0 0.9 1.0 H2 B:BXA402 2.5 1.0 1.0 H2A B:BXA402 2.5 0.6 1.0 C1 B:BXA402 3.1 0.8 1.0 CG1 A:ILE25 3.7 0.1 1.0 O1 B:BXA402 3.8 0.9 1.0 CD2 B:LEU176 3.8 0.3 1.0 O2 B:BXA402 3.9 0.0 1.0 CG2 A:ILE25 3.9 0.6 1.0 CD1 A:ILE25 4.0 0.5 1.0 CB A:ILE25 4.4 0.4 1.0 CD1 B:ILE131 4.4 0.3 1.0 CG1 B:VAL79 4.5 0.2 1.0 CE2 A:PHE42 4.5 0.6 1.0 HO2 B:BXA402 4.7 0.1 1.0 CG2 B:VAL79 4.8 0.6 1.0 CZ A:PHE42 4.9 0.3 1.0

Bromine binding site 6 out of 15 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate within 5.0Å range: probe atom residue distance (Å) B Occ B:Br403 b:0.4 occ:0.20 BR2 B:BXA403 0.0 0.4 0.2 C2 B:BXA403 2.0 0.9 1.0 H2 B:BXA403 2.5 0.9 1.0 H2A B:BXA403 2.5 0.3 1.0 C1 B:BXA403 3.0 0.7 1.0 O1 B:BXA403 3.6 0.5 1.0 CG1 C:VAL79 3.8 0.1 1.0 CD1 C:ILE131 3.9 0.5 1.0 CG2 C:VAL79 4.0 0.9 1.0 O2 B:BXA403 4.0 0.6 1.0 CG2 B:ILE25 4.2 0.8 1.0 CD2 C:LEU176 4.5 0.1 1.0 CG1 B:ILE25 4.5 0.2 1.0 CB C:VAL79 4.5 0.7 1.0 OE1 C:GLU181 4.7 0.0 1.0 HO2 B:BXA403 4.8 0.4 1.0 CZ C:PHE174 4.9 0.6 1.0 CB B:ILE25 4.9 0.9 1.0 CD1 B:ILE25 5.0 0.7 1.0 CG1 C:ILE131 5.0 0.1 1.0

Bromine binding site 7 out of 15 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate within 5.0Å range: probe atom residue distance (Å) B Occ B:Br404 b:92.5 occ:0.20 BR2 B:BXA404 0.0 92.5 0.2 C2 B:BXA404 2.0 93.6 1.0 H2 B:BXA404 2.5 94.2 1.0 H2A B:BXA404 2.5 93.7 1.0 C1 B:BXA404 2.9 89.5 1.0 O1 B:BXA404 3.4 86.3 1.0 O2 B:BXA404 3.8 86.8 1.0 NH2 B:ARG85 4.4 92.7 1.0 HO2 B:BXA404 4.6 86.8 1.0

Bromine binding site 8 out of 15 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate within 5.0Å range: probe atom residue distance (Å) B Occ C:Br401 b:0.6 occ:1.00 N C:PHE78 3.4 0.3 1.0 N C:ARG85 3.6 0.4 1.0 NH1 C:ARG85 3.8 0.4 1.0 CD2 C:PHE78 3.9 0.8 1.0 CG2 C:VAL81 3.9 0.8 1.0 CB C:PHE78 4.0 0.5 1.0 CA C:ALA84 4.0 0.2 1.0 CA C:ARG77 4.1 0.7 1.0 CG C:ARG85 4.1 0.2 1.0 CA C:PHE78 4.2 0.3 1.0 C C:ARG77 4.2 0.6 1.0 O C:PHE78 4.2 0.6 1.0 CB C:ARG85 4.3 0.6 1.0 CB C:ARG77 4.3 0.1 1.0 C C:ALA84 4.4 0.0 1.0 CG C:PHE78 4.4 0.7 1.0 CD C:ARG85 4.6 0.4 1.0 CG C:ARG77 4.6 0.6 1.0 CA C:ARG85 4.6 1.0 1.0 CB C:ALA84 4.6 0.5 1.0 C C:PHE78 4.7 0.0 1.0 CZ C:ARG85 4.8 0.4 1.0 CE2 C:PHE78 4.9 0.9 1.0

Bromine binding site 9 out of 15 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate within 5.0Å range: probe atom residue distance (Å) B Occ C:Br402 b:0.3 occ:0.20 BR2 C:BXA402 0.0 0.3 0.2 C2 C:BXA402 2.0 0.1 1.0 H2 C:BXA402 2.5 0.4 1.0 H2A C:BXA402 2.5 0.3 1.0 C1 C:BXA402 3.0 0.1 1.0 CG1 C:ILE25 3.6 0.1 1.0 CD2 D:LEU176 3.6 0.7 1.0 O1 C:BXA402 3.7 0.3 1.0 CD1 C:ILE25 3.8 0.0 1.0 O2 C:BXA402 3.8 0.3 1.0 CG2 C:ILE25 3.9 99.7 1.0 CE2 C:PHE42 4.2 0.1 1.0 OE1 D:GLU181 4.4 0.9 1.0 CB C:ILE25 4.4 99.5 1.0 CZ C:PHE42 4.5 0.5 1.0 CD1 D:ILE131 4.6 0.7 1.0 CG1 D:VAL79 4.6 0.6 1.0 HO2 C:BXA402 4.6 0.0 1.0 CG2 D:VAL79 4.9 0.3 1.0 CD2 C:PHE42 4.9 0.7 1.0

Bromine binding site 10 out of 15 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) in Complex with Bromoacetate within 5.0Å range: probe atom residue distance (Å) B Occ C:Br403 b:0.1 occ:0.20 BR2 C:BXA403 0.0 0.1 0.2 C2 C:BXA403 2.0 0.4 1.0 H2 C:BXA403 2.6 0.4 1.0 H2A C:BXA403 2.6 0.9 1.0 C1 C:BXA403 3.0 0.8 1.0 O2 C:BXA403 3.4 0.0 1.0 O1 C:BXA403 3.8 0.1 1.0 O C:PRO74 3.9 0.2 1.0 CA C:GLU75 4.1 0.7 1.0 CG C:GLU75 4.1 0.5 1.0 CG2 C:ILE73 4.1 0.1 1.0 O C:ILE73 4.2 0.8 1.0 HO2 C:BXA403 4.3 0.7 1.0 C C:PRO74 4.4 0.3 1.0 N C:GLU75 4.5 0.9 1.0 CB C:GLU75 4.7 0.5 1.0 CB C:ILE73 4.7 0.4 1.0 C C:ILE73 4.8 0.7 1.0

Z.Fourati, M.Delarue, L.Sauguet. Structural Characterization of Potential Modulation Sites in the Extracellular Domain of the Prokaryotic Pentameric Proton-Gated Ion Channel Glic Acta Crystallogr.,Sect.D 2015.
ISSN: ESSN 1399-0047