Chlorine in PDB 3igq: Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel

The structure of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel, PDB code: 3igq was solved by H.Nury, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	84.450, 130.240, 113.590, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 25.5

The structure of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel also contains other interesting chemical elements:

Mercury	(Hg)	6 atoms
Sodium	(Na)	6 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel (pdb code 3igq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel, PDB code: 3igq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:43.3 occ:1.00 N A:PHE78 3.1 40.2 1.0 N A:ARG85 3.3 48.0 1.0 NH1 A:ARG85 3.4 38.0 1.0 CB A:PHE78 3.7 40.2 1.0 CG A:ARG85 3.8 44.5 1.0 CD1 A:PHE78 3.9 44.3 1.0 CA A:ALA84 3.9 49.1 1.0 CA A:PHE78 4.0 40.2 1.0 CB A:ARG85 4.0 47.5 1.0 CA A:ARG77 4.0 41.9 1.0 CD A:ARG85 4.0 42.9 1.0 C A:ARG77 4.0 41.0 1.0 CG A:PHE78 4.1 41.6 1.0 C A:ALA84 4.1 48.8 1.0 O A:ILE76 4.2 40.1 1.0 CA A:ARG85 4.3 47.7 1.0 O A:PHE78 4.4 40.4 1.0 CB A:ALA84 4.4 47.8 1.0 CZ A:ARG85 4.4 39.3 1.0 CD A:ARG77 4.6 54.9 1.0 CG2 A:VAL81 4.6 37.9 1.0 NE A:ARG85 4.7 40.5 1.0 C A:PHE78 4.7 40.0 1.0 CE1 A:PHE78 4.8 45.6 1.0 CB A:ARG77 4.9 42.7 1.0 N A:ARG77 4.9 41.0 1.0 C A:ILE76 4.9 41.0 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl901 b:43.3 occ:1.00 N B:ARG85 3.1 48.2 1.0 N B:PHE78 3.3 39.8 1.0 NH1 B:ARG85 3.4 38.0 1.0 CA B:ALA84 3.6 48.6 1.0 CG B:ARG85 3.7 44.7 1.0 CB B:ARG85 3.8 47.2 1.0 CB B:PHE78 3.8 39.9 1.0 C B:ALA84 3.9 49.0 1.0 NH2 A:ARG105 3.9 64.9 1.0 CA B:ARG85 4.0 47.8 1.0 CD B:ARG85 4.1 42.7 1.0 CD1 B:PHE78 4.1 44.2 1.0 CB B:ALA84 4.1 47.7 1.0 CA B:PHE78 4.1 40.1 1.0 CG B:PHE78 4.2 41.5 1.0 CA B:ARG77 4.2 41.8 1.0 C B:ARG77 4.3 41.1 1.0 O B:PHE78 4.3 40.3 1.0 O B:ILE76 4.4 40.9 1.0 CZ B:ARG85 4.5 39.5 1.0 CG2 B:VAL81 4.5 37.7 1.0 O B:HOH202 4.6 53.1 1.0 CD B:ARG77 4.7 54.9 1.0 NE B:ARG85 4.7 40.9 1.0 C B:PHE78 4.8 39.9 1.0 N B:ALA84 4.8 49.6 1.0 O B:ASN83 4.9 51.3 1.0 O B:ARG85 5.0 48.5 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl901 b:42.7 occ:1.00 N C:ARG85 3.1 48.1 1.0 N C:PHE78 3.2 39.5 1.0 NH1 C:ARG85 3.5 38.1 1.0 CA C:ALA84 3.7 48.9 1.0 CG C:ARG85 3.7 44.5 1.0 CB C:PHE78 3.8 40.1 1.0 CB C:ARG85 3.9 47.4 1.0 NH2 B:ARG105 3.9 64.7 1.0 C C:ALA84 3.9 48.8 1.0 CA C:ARG77 4.0 41.9 1.0 CA C:PHE78 4.1 39.9 1.0 CA C:ARG85 4.1 47.7 1.0 CD1 C:PHE78 4.1 44.4 1.0 C C:ARG77 4.1 41.2 1.0 CD C:ARG85 4.1 43.2 1.0 CG C:PHE78 4.2 41.5 1.0 CB C:ALA84 4.2 47.6 1.0 O C:PHE78 4.3 40.2 1.0 O C:HOH359 4.4 62.7 1.0 O C:ILE76 4.4 40.7 1.0 CG2 C:VAL81 4.5 38.3 1.0 CZ C:ARG85 4.5 39.3 1.0 CD C:ARG77 4.6 54.7 1.0 C C:PHE78 4.7 40.1 1.0 NE C:ARG85 4.8 40.5 1.0 N C:ALA84 4.9 49.7 1.0 CB C:ARG77 4.9 42.7 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl901 b:41.8 occ:1.00 N D:ARG85 3.2 48.0 1.0 N D:PHE78 3.3 39.5 1.0 NH2 D:ARG85 3.6 37.8 1.0 CA D:ALA84 3.7 49.0 1.0 CB D:PHE78 3.8 40.4 1.0 CG D:ARG85 3.9 44.1 1.0 C D:ALA84 3.9 48.9 1.0 CA D:ARG77 4.0 41.8 1.0 CB D:ARG85 4.0 47.4 1.0 CA D:PHE78 4.1 40.3 1.0 CD1 D:PHE78 4.1 44.0 1.0 C D:ARG77 4.1 41.0 1.0 CD D:ARG85 4.2 42.9 1.0 CA D:ARG85 4.2 47.8 1.0 CG D:PHE78 4.2 41.9 1.0 CB D:ALA84 4.2 47.6 1.0 O D:PHE78 4.3 40.3 1.0 O D:ILE76 4.4 40.5 1.0 CG2 D:VAL81 4.5 37.9 1.0 CZ D:ARG85 4.6 39.7 1.0 CD D:ARG77 4.6 54.9 1.0 C D:PHE78 4.7 40.3 1.0 CB D:ARG77 4.7 42.2 1.0 N D:ALA84 4.8 49.8 1.0 NE D:ARG85 4.9 40.3 1.0 O D:ASN83 5.0 50.9 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl901 b:42.1 occ:1.00 N E:PHE78 3.2 39.7 1.0 N E:ARG85 3.2 47.8 1.0 NH1 E:ARG85 3.5 38.2 1.0 CA E:ALA84 3.7 49.1 1.0 CB E:PHE78 3.8 40.0 1.0 CG E:ARG85 3.9 44.3 1.0 NH2 D:ARG105 3.9 64.7 1.0 C E:ALA84 4.0 48.8 1.0 CD1 E:PHE78 4.0 43.6 1.0 CA E:PHE78 4.0 40.0 1.0 CA E:ARG77 4.1 41.9 1.0 CB E:ARG85 4.1 47.1 1.0 C E:ARG77 4.1 40.9 1.0 CG E:PHE78 4.2 41.5 1.0 CD E:ARG85 4.2 42.8 1.0 CB E:ALA84 4.2 47.8 1.0 CA E:ARG85 4.2 47.8 1.0 O E:PHE78 4.2 40.4 1.0 O E:ILE76 4.4 40.5 1.0 CG2 E:VAL81 4.5 38.2 1.0 CZ E:ARG85 4.5 39.2 1.0 CD E:ARG77 4.6 55.2 1.0 C E:PHE78 4.6 39.6 1.0 NE E:ARG85 4.8 40.2 1.0 CB E:ARG77 4.9 42.6 1.0 N E:ALA84 4.9 49.9 1.0 O E:ASN83 5.0 51.2 1.0 CE1 E:PHE78 5.0 45.5 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Extracellular Domain of A Bacterial Pentameric Ligand-Gated Ion Channel within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl901 b:40.6 occ:1.00 N F:PHE78 3.1 39.5 1.0 N F:ARG85 3.3 47.9 1.0 NH1 F:ARG85 3.3 37.7 1.0 CB F:PHE78 3.7 40.0 1.0 NH2 E:ARG105 3.7 64.6 1.0 CA F:ALA84 3.9 48.9 1.0 CG F:ARG85 3.9 44.1 1.0 CA F:PHE78 4.0 40.0 1.0 CA F:ARG77 4.0 41.6 1.0 CD1 F:PHE78 4.0 43.8 1.0 CB F:ARG85 4.0 47.2 1.0 C F:ARG77 4.0 40.8 1.0 C F:ALA84 4.1 48.7 1.0 CD F:ARG85 4.1 42.9 1.0 CG F:PHE78 4.1 41.3 1.0 O F:PHE78 4.2 39.9 1.0 CA F:ARG85 4.3 47.4 1.0 CB F:ALA84 4.3 47.4 1.0 O F:ILE76 4.3 40.6 1.0 CZ F:ARG85 4.4 39.2 1.0 CG2 F:VAL81 4.5 38.1 1.0 CD F:ARG77 4.6 55.0 1.0 C F:PHE78 4.6 39.9 1.0 NE F:ARG85 4.7 41.2 1.0 CB F:ARG77 4.8 42.0 1.0 CE1 F:PHE78 4.9 45.1 1.0 N F:ARG77 4.9 40.7 1.0

H.Nury, N.Bocquet, C.Le Poupon, B.Raynal, A.Haouz, P.-J.Corringer, M.Delarue. Crystal Structure of the Extracellular Domain of A Bacterial Ligand-Gated Ion Channel J.Mol.Biol. V. 395 1114 2010.
ISSN: ISSN 0022-2836
PubMed: 19917292
DOI: 10.1016/J.JMB.2009.11.024