Chlorine in PDB 3uu8: The Glic Pentameric Ligand-Gated Ion Channel LOOP2-24' Mutant Reduced in Solution

The structure of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-24' Mutant Reduced in Solution, PDB code: 3uu8 was solved by L.Sauguet, H.Nury, P.J.Corringer, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.11 / 3.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.350, 133.470, 159.940, 90.00, 102.21, 90.00
R / Rfree (%)	22.6 / 23.4

The structure of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-24' Mutant Reduced in Solution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-24' Mutant Reduced in Solution (pdb code 3uu8). 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 LOOP2-24' Mutant Reduced in Solution, PDB code: 3uu8:
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 LOOP2-24' Mutant Reduced in Solution


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 LOOP2-24' Mutant Reduced in Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl322 b:66.5 occ:1.00 N A:PHE78 3.2 52.6 1.0 CG2 A:VAL81 3.5 53.3 1.0 NH1 A:ARG85 3.6 63.1 1.0 CB A:PHE78 3.6 54.0 1.0 CD2 A:PHE78 3.7 58.8 1.0 O A:PHE78 3.9 52.8 1.0 CA A:PHE78 3.9 52.1 1.0 N A:ARG85 3.9 69.1 1.0 CA A:ARG77 4.1 51.3 1.0 C A:ARG77 4.1 56.0 1.0 CG A:PHE78 4.1 56.0 1.0 CG A:ARG85 4.2 65.1 1.0 CB A:ARG77 4.3 50.0 1.0 CB A:ARG85 4.3 64.1 1.0 CA A:ALA84 4.4 68.8 1.0 C A:PHE78 4.4 53.4 1.0 CD A:ARG85 4.6 68.5 1.0 C A:ALA84 4.7 73.3 1.0 CB A:VAL81 4.7 53.6 1.0 CZ A:ARG85 4.8 78.2 1.0 CG1 A:VAL81 4.8 53.2 1.0 CA A:ARG85 4.8 68.3 1.0 CE2 A:PHE78 4.8 62.7 1.0 CB A:ALA84 4.9 69.3 1.0 CG A:ARG77 4.9 58.7 1.0

Chlorine binding site 2 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-24' Mutant Reduced in Solution


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 LOOP2-24' Mutant Reduced in Solution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl320 b:74.1 occ:1.00 N B:PHE78 3.4 50.6 1.0 NH1 B:ARG85 3.6 59.9 1.0 CG2 B:VAL81 3.7 52.2 1.0 O B:PHE78 4.0 55.4 1.0 CB B:PHE78 4.1 52.7 1.0 N B:ARG85 4.1 70.0 1.0 CA B:ARG77 4.1 51.5 1.0 CB B:ARG77 4.2 51.0 1.0 CD2 B:PHE78 4.2 57.2 1.0 CA B:PHE78 4.2 50.9 1.0 C B:ARG77 4.3 54.0 1.0 CG B:ARG85 4.4 64.8 1.0 CA B:ALA84 4.4 72.2 1.0 C B:PHE78 4.6 55.3 1.0 CB B:ARG85 4.6 64.5 1.0 CG B:PHE78 4.7 54.6 1.0 CG B:ARG77 4.7 57.9 1.0 CZ B:ARG85 4.8 75.2 1.0 C B:ALA84 4.8 74.5 1.0 CB B:ALA84 4.9 72.8 1.0 CD B:ARG85 4.9 68.9 1.0 CB B:VAL81 5.0 52.5 1.0

Chlorine binding site 3 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-24' Mutant Reduced in Solution


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 LOOP2-24' Mutant Reduced in Solution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl322 b:69.3 occ:1.00 N C:PHE78 3.2 55.8 1.0 CD2 C:PHE78 3.8 61.9 1.0 CA C:ARG77 3.9 54.6 1.0 CB C:PHE78 3.9 56.8 1.0 CG2 C:VAL81 3.9 55.7 1.0 C C:ARG77 4.0 59.5 1.0 CB C:ARG77 4.0 51.4 1.0 CG C:ARG85 4.1 70.7 1.0 CA C:PHE78 4.1 54.9 1.0 O C:PHE78 4.1 56.7 1.0 NH1 C:ARG85 4.4 60.7 1.0 CG C:PHE78 4.4 59.1 1.0 N C:ARG85 4.5 71.8 1.0 CZ C:ARG85 4.5 79.8 1.0 CG C:ARG77 4.6 59.1 1.0 C C:PHE78 4.6 56.7 1.0 CB C:ARG85 4.6 68.2 1.0 NE C:ARG85 4.7 74.7 1.0 CD C:ARG85 4.8 74.1 1.0 CA C:ALA84 4.9 72.3 1.0 CE2 C:PHE78 4.9 65.0 1.0 CB C:ALA84 4.9 72.7 1.0 NH2 C:ARG85 5.0 63.0 1.0

Chlorine binding site 4 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-24' Mutant Reduced in Solution


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 LOOP2-24' Mutant Reduced in Solution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl321 b:70.8 occ:1.00 N D:PHE78 3.3 46.7 1.0 CG2 D:VAL81 3.7 54.3 1.0 O D:PHE78 3.9 48.7 1.0 CB D:PHE78 4.0 47.7 1.0 CA D:ARG77 4.0 47.5 1.0 CB D:ARG77 4.1 46.3 1.0 CA D:PHE78 4.1 46.0 1.0 C D:ARG77 4.2 50.6 1.0 CD2 D:PHE78 4.2 52.2 1.0 CG D:ARG85 4.3 68.7 1.0 N D:ARG85 4.4 71.8 1.0 NH1 D:ARG85 4.5 59.5 1.0 C D:PHE78 4.5 48.8 1.0 CG D:ARG77 4.6 53.6 1.0 CG D:PHE78 4.6 49.8 1.0 CB D:ALA84 4.8 72.8 1.0 CA D:ALA84 4.8 72.2 1.0 CB D:ARG85 4.8 67.5 1.0 CZ D:ARG85 4.8 79.2 1.0 CB D:VAL81 5.0 54.4 1.0

Chlorine binding site 5 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-24' Mutant Reduced in Solution


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 LOOP2-24' Mutant Reduced in Solution within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl320 b:79.8 occ:1.00 N E:PHE78 3.4 54.8 1.0 O E:PHE78 3.7 56.9 1.0 CB E:ARG77 4.0 54.5 1.0 CG2 E:VAL81 4.0 56.8 1.0 CA E:ARG77 4.1 54.9 1.0 CB E:PHE78 4.2 56.4 1.0 CA E:PHE78 4.2 54.6 1.0 C E:ARG77 4.3 58.0 1.0 C E:PHE78 4.4 57.0 1.0 CD2 E:PHE78 4.5 60.4 1.0 CG E:ARG77 4.5 63.4 1.0 CG E:ARG85 4.8 75.1 1.0 CG E:PHE78 4.9 58.1 1.0 CG1 E:VAL81 4.9 56.7 1.0 NH1 E:ARG85 4.9 66.9 1.0 NH1 D:ARG105 4.9 61.0 1.0

M.S.Prevost, L.Sauguet, H.Nury, C.Van Renterghem, C.Huon, F.Poitevin, M.Baaden, M.Delarue, P.J.Corringer. A Locally Closed Conformation of A Bacterial Pentameric Proton-Gated Ion Channel. Nat.Struct.Mol.Biol. V. 19 642 2012.
ISSN: ISSN 1545-9993
PubMed: 22580559
DOI: 10.1038/NSMB.2307