Chlorine in PDB 4qh5: The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer

The structure of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer, PDB code: 4qh5 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 / 3.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.878, 134.423, 160.003, 90.00, 102.72, 90.00
R / Rfree (%)	19.9 / 21.6

The structure of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer (pdb code 4qh5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer, PDB code: 4qh5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:0.2 occ:1.00 NH1 A:ARG77 3.5 0.2 1.0 O A:PRO74 3.7 0.9 1.0 O A:ILE76 4.0 0.4 1.0 N A:ILE76 4.1 0.8 1.0 NH2 A:ARG85 4.2 0.4 1.0 OH A:TYR102 4.3 0.3 1.0 CG2 A:ILE73 4.4 0.4 1.0 CA A:GLU75 4.5 0.6 1.0 CZ A:ARG77 4.6 0.1 1.0 C A:PRO74 4.7 0.6 1.0 OE1 A:GLU104 4.7 0.8 1.0 C A:GLU75 4.8 0.1 1.0 C A:ILE76 4.8 0.7 1.0 CZ A:TYR102 4.8 0.2 1.0 NH1 A:ARG85 4.8 0.7 1.0 CA A:ILE76 4.8 0.3 1.0 NH2 A:ARG77 4.9 0.4 1.0 CB A:ILE76 4.9 0.2 1.0

Chlorine binding site 2 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:0.8 occ:1.00 NH2 B:ARG85 3.5 0.0 1.0 O B:PRO74 3.7 0.8 1.0 NH1 B:ARG77 3.7 0.3 1.0 O B:ILE76 3.9 0.0 1.0 NH1 B:ARG85 4.0 1.0 1.0 CZ B:ARG85 4.0 0.9 1.0 N B:ILE76 4.0 97.0 1.0 OH B:TYR102 4.2 0.8 1.0 CG2 B:ILE73 4.4 0.3 1.0 CA B:GLU75 4.6 0.8 1.0 OE1 B:GLU104 4.7 0.5 1.0 CZ B:TYR102 4.7 0.9 1.0 C B:ILE76 4.7 0.1 1.0 CB B:ILE76 4.7 98.6 1.0 CA B:ILE76 4.8 96.2 1.0 C B:PRO74 4.8 0.8 1.0 CD1 B:LEU45 4.8 1.0 1.0 C B:GLU75 4.8 0.5 1.0 CZ B:ARG77 4.9 0.9 1.0

Chlorine binding site 3 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:0.2 occ:1.00 O C:PRO74 3.3 0.3 1.0 N C:ILE76 3.5 0.6 1.0 NH2 C:ARG85 3.6 0.6 1.0 O C:ILE76 3.6 1.0 1.0 CB C:ILE76 4.1 0.9 1.0 CA C:ILE76 4.2 0.4 1.0 CD1 C:LEU45 4.3 0.2 1.0 CA C:GLU75 4.3 0.2 1.0 C C:ILE76 4.3 0.7 1.0 NH1 C:ARG85 4.4 1.0 1.0 C C:PRO74 4.4 0.0 1.0 CG2 C:ILE73 4.4 0.7 1.0 C C:GLU75 4.4 0.6 1.0 CZ C:ARG85 4.4 0.5 1.0 OH C:TYR102 4.4 0.6 1.0 CG1 C:ILE76 4.7 0.3 1.0 OE1 C:GLU104 4.8 0.2 1.0 CZ C:TYR102 4.8 0.5 1.0 N C:GLU75 4.9 0.4 1.0

Chlorine binding site 4 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:0.7 occ:1.00 NH1 D:ARG77 3.5 0.0 1.0 O D:PRO74 3.9 0.6 1.0 O D:ILE76 4.0 98.3 1.0 N D:ILE76 4.2 97.8 1.0 NH2 D:ARG85 4.5 0.2 1.0 OH D:TYR102 4.5 0.4 1.0 CA D:GLU75 4.5 0.7 1.0 CG2 D:ILE73 4.6 0.7 1.0 CZ D:ARG77 4.6 0.4 1.0 C D:GLU75 4.8 0.2 1.0 C D:PRO74 4.8 0.9 1.0 C D:ILE76 4.9 98.2 1.0 OE1 D:GLU104 4.9 0.3 1.0 CA D:ILE76 5.0 95.7 1.0 NH2 D:ARG77 5.0 0.1 1.0

Chlorine binding site 5 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Glic Pentameric Ligand-Gated Ion Channel (Wild-Type) Crystallized in Phosphate Buffer within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl402 b:0.5 occ:1.00 NH1 E:ARG77 3.7 0.7 1.0 O E:PRO74 3.7 0.3 1.0 O E:ILE76 3.7 0.5 1.0 N E:ILE76 3.9 0.5 1.0 OH E:TYR102 4.2 0.6 1.0 OE1 E:GLU104 4.4 0.9 1.0 CB E:ILE76 4.5 0.7 1.0 CA E:ILE76 4.6 0.3 1.0 C E:ILE76 4.6 0.1 1.0 CG2 E:ILE73 4.6 0.6 1.0 CD1 E:LEU45 4.6 0.7 1.0 CA E:GLU75 4.6 0.7 1.0 CZ E:TYR102 4.7 0.6 1.0 C E:GLU75 4.7 0.7 1.0 C E:PRO74 4.8 0.7 1.0 CZ E:ARG77 4.9 0.5 1.0 CE1 E:TYR102 5.0 0.3 1.0

Z.Fourati, L.Sauguet, M.Delarue. 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