Chlorine in PDB 3uu5: The Glic Pentameric Ligand-Gated Ion Channel LOOP2-20' Mutant Reduced in Solution

The structure of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-20' Mutant Reduced in Solution, PDB code: 3uu5 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)	44.40 / 2.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.860, 132.980, 160.420, 90.00, 102.42, 90.00
R / Rfree (%)	20.4 / 21.8

The structure of The Glic Pentameric Ligand-Gated Ion Channel LOOP2-20' 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 LOOP2-20' Mutant Reduced in Solution (pdb code 3uu5). 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 LOOP2-20' Mutant Reduced in Solution, PDB code: 3uu5:
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 LOOP2-20' 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 LOOP2-20' Mutant Reduced in Solution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl322 b:69.5 occ:1.00 O A:HOH332 3.0 80.7 1.0 N A:PHE78 3.3 63.9 1.0 NH1 A:ARG85 3.5 62.1 1.0 N A:ARG85 3.6 79.4 1.0 CD2 A:PHE78 3.7 74.8 1.0 CB A:PHE78 3.9 67.9 1.0 CG2 A:VAL81 3.9 64.6 1.0 CA A:ARG77 4.0 62.3 1.0 CG A:ARG85 4.0 77.5 1.0 CA A:ALA84 4.0 79.0 1.0 CA A:PHE78 4.1 64.6 1.0 C A:ARG77 4.1 66.3 1.0 CB A:ARG85 4.2 75.5 1.0 O A:PHE78 4.2 64.7 1.0 CB A:ARG77 4.3 60.5 1.0 CG A:PHE78 4.3 71.2 1.0 C A:ALA84 4.4 84.4 1.0 CB A:ALA84 4.4 79.5 1.0 CD A:ARG85 4.5 81.9 1.0 CA A:ARG85 4.5 78.7 1.0 CZ A:ARG85 4.6 84.1 1.0 C A:PHE78 4.7 65.3 1.0 CE2 A:PHE78 4.7 78.6 1.0 CG A:ARG77 4.8 68.1 1.0

Chlorine binding site 2 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-20' 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 LOOP2-20' Mutant Reduced in Solution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl320 b:74.6 occ:1.00 N B:PHE78 3.1 65.2 1.0 NH1 B:ARG85 3.4 72.5 1.0 CD2 B:PHE78 3.5 71.9 1.0 CB B:PHE78 3.7 67.1 1.0 N B:ARG85 3.7 79.0 1.0 CG2 B:VAL81 3.8 68.5 1.0 CA B:PHE78 3.9 64.8 1.0 CA B:ARG77 4.0 65.4 1.0 C B:ARG77 4.0 68.6 1.0 CG B:ARG85 4.0 74.5 1.0 CG B:PHE78 4.1 69.2 1.0 O B:PHE78 4.1 68.0 1.0 CB B:ARG85 4.1 73.3 1.0 CA B:ALA84 4.2 83.1 1.0 CB B:ARG77 4.3 62.8 1.0 CD B:ARG85 4.5 77.3 1.0 C B:ALA84 4.5 85.1 1.0 C B:PHE78 4.5 68.1 1.0 CA B:ARG85 4.6 77.5 1.0 CE2 B:PHE78 4.6 75.1 1.0 CZ B:ARG85 4.6 84.8 1.0 CB B:ALA84 4.6 84.0 1.0 CG B:ARG77 4.9 73.1 1.0 CG1 B:VAL81 4.9 68.3 1.0 CB B:VAL81 5.0 68.7 1.0 NE B:ARG85 5.0 78.8 1.0

Chlorine binding site 3 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-20' 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 LOOP2-20' Mutant Reduced in Solution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl321 b:73.0 occ:1.00 N C:PHE78 3.3 67.3 1.0 NH1 C:ARG85 3.5 68.0 1.0 CD2 C:PHE78 3.6 75.5 1.0 N C:ARG85 3.7 83.0 1.0 CB C:PHE78 3.8 69.6 1.0 CG2 C:VAL81 3.9 71.9 1.0 CG C:ARG85 4.0 80.6 1.0 CA C:ARG77 4.0 67.2 1.0 CA C:ALA84 4.1 83.7 1.0 CA C:PHE78 4.1 67.2 1.0 C C:ARG77 4.1 70.6 1.0 CB C:ARG85 4.1 79.3 1.0 O C:PHE78 4.2 71.8 1.0 CG C:PHE78 4.2 72.4 1.0 CB C:ARG77 4.2 65.5 1.0 C C:ALA84 4.4 87.6 1.0 CB C:ALA84 4.5 84.3 1.0 CD C:ARG85 4.5 83.6 1.0 CA C:ARG85 4.5 82.0 1.0 CZ C:ARG85 4.6 87.1 1.0 C C:PHE78 4.7 70.3 1.0 CE2 C:PHE78 4.7 78.9 1.0 CG C:ARG77 4.8 73.8 1.0 NE C:ARG85 5.0 83.0 1.0

Chlorine binding site 4 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-20' 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 LOOP2-20' Mutant Reduced in Solution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl321 b:71.0 occ:1.00 O D:HOH338 2.9 83.2 1.0 N D:PHE78 3.2 59.5 1.0 NH1 D:ARG85 3.2 68.8 1.0 CD2 D:PHE78 3.4 66.4 1.0 N D:ARG85 3.6 81.7 1.0 CB D:PHE78 3.8 61.5 1.0 CG D:ARG85 3.8 77.5 1.0 CA D:ARG77 4.0 59.6 1.0 CB D:ARG85 4.0 77.6 1.0 CA D:PHE78 4.0 59.1 1.0 CG2 D:VAL81 4.0 68.7 1.0 C D:ARG77 4.0 63.6 1.0 CG D:PHE78 4.1 63.9 1.0 CA D:ALA84 4.2 84.6 1.0 CD D:ARG85 4.3 81.8 1.0 O D:PHE78 4.3 61.6 1.0 CB D:ARG77 4.3 58.5 1.0 CZ D:ARG85 4.4 90.8 1.0 C D:ALA84 4.4 87.2 1.0 CA D:ARG85 4.4 80.9 1.0 CE2 D:PHE78 4.5 69.2 1.0 CB D:ALA84 4.6 85.3 1.0 C D:PHE78 4.7 61.8 1.0 NE D:ARG85 4.8 86.6 1.0 CG D:ARG77 4.9 65.4 1.0

Chlorine binding site 5 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel LOOP2-20' 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 LOOP2-20' Mutant Reduced in Solution within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl320 b:77.6 occ:1.00 N E:PHE78 3.1 67.3 1.0 NH1 E:ARG85 3.5 78.7 1.0 CD2 E:PHE78 3.6 76.8 1.0 CB E:PHE78 3.7 70.6 1.0 N E:ARG85 3.8 89.0 1.0 CA E:ARG77 3.9 68.2 1.0 CG2 E:VAL81 3.9 71.3 1.0 CA E:PHE78 3.9 67.8 1.0 C E:ARG77 3.9 70.7 1.0 O E:PHE78 4.0 70.9 1.0 CB E:ARG77 4.1 67.9 1.0 CG E:PHE78 4.1 73.6 1.0 CG E:ARG85 4.2 90.3 1.0 CA E:ALA84 4.2 89.8 1.0 CB E:ARG85 4.3 85.7 1.0 C E:PHE78 4.5 70.0 1.0 CB E:ALA84 4.6 90.6 1.0 C E:ALA84 4.6 93.9 1.0 CD E:ARG85 4.6 89.0 1.0 CZ E:ARG85 4.6 89.0 1.0 CE2 E:PHE78 4.7 80.0 1.0 CA E:ARG85 4.7 87.9 1.0 CG E:ARG77 4.7 77.8 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