Chlorine in PDB 6i08: The Glic Pentameric Ligand-Gated Ion Channel Mutant E243C-I201W

The structure of The Glic Pentameric Ligand-Gated Ion Channel Mutant E243C-I201W, PDB code: 6i08 was solved by H.D.Hu, M.Delarue, 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 (°)	180.800, 134.350, 159.350, 90.00, 101.83, 90.00
R / Rfree (%)	20.9 / 22.8

The structure of The Glic Pentameric Ligand-Gated Ion Channel Mutant E243C-I201W also contains other interesting chemical elements:

Sodium

(Na)

7 atoms

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel Mutant E243C-I201W (pdb code 6i08). 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 Mutant E243C-I201W, PDB code: 6i08:
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 Mutant E243C-I201W


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 Mutant E243C-I201W within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:0.6 occ:1.00 N D:PHE78 3.2 88.8 1.0 O D:HOH502 3.3 63.6 1.0 CB D:PHE78 3.6 87.5 1.0 CD2 D:PHE78 3.6 89.8 1.0 CG2 D:VAL81 3.8 88.8 1.0 O D:PHE78 3.8 88.4 1.0 CA D:PHE78 3.9 86.3 1.0 O D:HOH508 4.1 75.4 1.0 CG D:PHE78 4.1 88.5 1.0 C D:ARG77 4.2 94.1 1.0 CA D:ARG77 4.2 88.4 1.0 CG D:ARG85 4.2 0.6 1.0 C D:PHE78 4.3 88.8 1.0 CD D:ARG77 4.5 0.5 1.0 CB D:ARG77 4.5 85.8 1.0 CE2 D:PHE78 4.8 92.6 1.0 CD D:ARG85 4.9 0.3 1.0

Chlorine binding site 2 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant E243C-I201W


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 Mutant E243C-I201W within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:0.2 occ:1.00 N A:PHE78 3.1 82.6 1.0 CB A:PHE78 3.6 82.7 1.0 O A:HOH505 3.6 78.9 1.0 O A:PHE78 3.7 81.8 1.0 CD2 A:PHE78 3.8 85.3 1.0 CA A:PHE78 3.8 81.4 1.0 CG2 A:VAL81 3.9 89.8 1.0 C A:ARG77 4.1 85.9 1.0 CA A:ARG77 4.1 80.7 1.0 CG A:PHE78 4.2 83.6 1.0 CD A:ARG77 4.2 0.8 1.0 C A:PHE78 4.3 83.9 1.0 CB A:ARG77 4.4 79.1 1.0 O A:HOH511 4.4 68.2 1.0 CG A:ARG85 4.4 0.7 1.0 CG A:ARG77 4.9 83.7 1.0 CD A:ARG85 4.9 0.0 1.0 CE2 A:PHE78 4.9 88.3 1.0

Chlorine binding site 3 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant E243C-I201W


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 Mutant E243C-I201W within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:0.2 occ:1.00 N B:PHE78 3.1 84.6 1.0 CB B:PHE78 3.7 86.1 1.0 O B:PHE78 3.7 88.5 1.0 CD2 B:PHE78 3.8 90.1 1.0 CA B:PHE78 3.9 84.2 1.0 CA B:ARG77 3.9 81.3 1.0 CD B:ARG77 4.0 0.2 1.0 C B:ARG77 4.0 87.3 1.0 CB B:ARG77 4.1 80.6 1.0 CG2 B:VAL81 4.2 77.6 1.0 CG B:PHE78 4.2 88.0 1.0 CG B:ARG85 4.3 0.4 1.0 C B:PHE78 4.3 88.0 1.0 CG B:ARG77 4.7 91.0 1.0 CD B:ARG85 4.7 0.5 1.0 CE2 B:PHE78 5.0 92.7 1.0

Chlorine binding site 4 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant E243C-I201W


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 Mutant E243C-I201W within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:0.6 occ:1.00 N C:PHE78 3.3 85.9 1.0 O C:PHE78 3.5 91.5 1.0 O C:HOH501 3.9 69.5 1.0 CG2 C:VAL81 3.9 88.1 1.0 CB C:PHE78 3.9 86.7 1.0 CA C:PHE78 4.0 85.2 1.0 CD C:ARG77 4.1 0.0 1.0 CB C:ARG77 4.2 85.9 1.0 CA C:ARG77 4.2 87.8 1.0 C C:PHE78 4.2 90.0 1.0 C C:ARG77 4.2 90.6 1.0 CD2 C:PHE78 4.3 90.6 1.0 CG C:ARG85 4.3 0.4 1.0 CG C:PHE78 4.6 88.2 1.0 CG C:ARG77 4.7 90.9 1.0 CD C:ARG85 4.8 0.5 1.0 NH1 B:ARG105 4.9 0.6 1.0 CZ B:ARG105 5.0 0.4 1.0

Chlorine binding site 5 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant E243C-I201W


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 Mutant E243C-I201W within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:0.7 occ:1.00 N E:PHE78 3.1 95.2 1.0 O E:PHE78 3.5 93.2 1.0 CD E:ARG77 3.8 0.8 1.0 CB E:PHE78 3.9 94.4 1.0 CB E:ARG77 3.9 95.9 1.0 CA E:ARG77 3.9 95.0 1.0 CA E:PHE78 3.9 93.0 1.0 C E:ARG77 4.0 99.9 1.0 CG2 E:VAL81 4.1 93.7 1.0 C E:PHE78 4.2 93.8 1.0 CD2 E:PHE78 4.2 98.2 1.0 CG E:ARG85 4.4 0.8 1.0 CG E:ARG77 4.4 0.2 1.0 CG E:PHE78 4.5 95.9 1.0 CD E:ARG85 4.8 0.5 1.0

H.Hu, K.Ataka, A.Menny, Z.Fourati, L.Sauguet, P.J.Corringer, P.Koehl, J.Heberle, M.Delarue. Electrostatics, Proton Sensor, and Networks Governing the Gating Transition in Glic, A Proton-Gated Pentameric Ion Channel. Proc. Natl. Acad. Sci. V. 115 12172 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30541892
DOI: 10.1073/PNAS.1813378116