Chlorine in PDB 6hz0: The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A

The structure of The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A, PDB code: 6hz0 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 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	180.871, 132.678, 159.329, 90.00, 101.95, 90.00
R / Rfree (%)	21 / 23.8

The structure of The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A (pdb code 6hz0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A, PDB code: 6hz0:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A


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 K248A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:73.8 occ:1.00 O A:HOH548 2.7 65.5 1.0 N A:PHE78 3.3 67.9 1.0 N A:ARG85 3.5 72.9 1.0 NH1 A:ARG85 3.6 77.3 1.0 CA A:ALA84 3.6 81.8 1.0 CB A:PHE78 3.9 67.5 1.0 CD2 A:PHE78 3.9 71.6 1.0 CG A:ARG85 3.9 85.7 1.0 O A:HOH535 4.0 69.4 1.0 CB A:ALA84 4.1 88.1 1.0 C A:ALA84 4.1 78.3 1.0 CA A:PHE78 4.1 65.3 1.0 CA A:ARG77 4.2 64.0 1.0 CD A:ARG85 4.2 84.1 1.0 CG2 A:VAL81 4.2 64.1 1.0 C A:ARG77 4.2 65.7 1.0 O A:PHE78 4.3 70.9 1.0 CB A:ARG85 4.3 81.1 1.0 CG A:PHE78 4.3 69.9 1.0 CB A:ARG77 4.4 66.7 1.0 CA A:ARG85 4.5 78.3 1.0 CZ A:ARG85 4.6 79.0 1.0 CG A:ARG77 4.7 76.7 1.0 C A:PHE78 4.7 56.5 1.0 N A:ALA84 4.7 90.6 1.0 NE A:ARG85 4.8 84.8 1.0 CE2 A:PHE78 4.9 78.5 1.0

Chlorine binding site 2 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A


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 K248A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:78.8 occ:1.00 N A:LEU180 3.4 70.4 1.0 OD1 A:ASN139 3.5 61.2 1.0 CA A:ARG179 3.9 68.1 1.0 CB A:LEU180 3.9 72.7 1.0 C A:ARG179 4.1 69.8 1.0 CG A:ASN139 4.2 64.6 1.0 CA A:LEU180 4.3 65.3 1.0 CD A:ARG179 4.4 79.8 1.0 ND2 A:ASN139 4.4 67.4 1.0 CB A:ARG179 4.5 66.7 1.0 CB A:SER134 4.5 70.6 1.0 O A:ASP178 4.7 86.4 1.0 N A:ARG179 4.9 66.3 1.0 CG A:ARG179 5.0 73.2 1.0

Chlorine binding site 3 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A


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 K248A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:93.6 occ:1.00 N A:ALA175 3.0 72.4 1.0 CB A:ALA175 3.6 80.8 1.0 CA A:PHE174 3.6 65.5 1.0 C A:PHE174 3.9 66.4 1.0 CB A:PHE174 3.9 69.8 1.0 CA A:ALA175 3.9 75.8 1.0 O A:ALA175 4.6 70.3 1.0 C A:ALA175 4.8 70.6 1.0 O A:ASN173 4.8 68.5 1.0 N A:PHE174 4.9 65.1 1.0

Chlorine binding site 4 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A


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 K248A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:73.9 occ:1.00 O B:HOH551 2.9 56.7 1.0 N B:PHE78 3.3 55.2 1.0 NH1 B:ARG85 3.7 79.5 1.0 N B:ARG85 3.7 82.7 1.0 CA B:ALA84 3.8 87.7 1.0 CB B:PHE78 3.9 55.2 1.0 CD2 B:PHE78 4.0 59.4 1.0 CA B:PHE78 4.1 55.2 1.0 CG B:ARG85 4.1 87.5 1.0 CG2 B:VAL81 4.1 57.8 1.0 CA B:ARG77 4.1 61.1 1.0 O B:PHE78 4.1 58.0 1.0 C B:ARG77 4.2 58.6 1.0 CB B:ALA84 4.3 87.1 1.0 CD B:ARG85 4.3 84.1 1.0 C B:ALA84 4.3 83.8 1.0 CG B:PHE78 4.3 58.5 1.0 CB B:ARG77 4.3 63.9 1.0 CB B:ARG85 4.5 80.7 1.0 C B:PHE78 4.6 59.9 1.0 CZ B:ARG85 4.7 72.2 1.0 CG B:ARG77 4.7 72.9 1.0 CA B:ARG85 4.8 85.1 1.0 N B:ALA84 4.8 97.7 1.0 NE B:ARG85 4.9 78.2 1.0

Chlorine binding site 5 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A


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 K248A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl405 b:74.2 occ:1.00 N C:PHE78 3.2 74.3 1.0 NH1 C:ARG85 3.6 77.5 1.0 N C:ARG85 3.7 78.5 1.0 CB C:PHE78 3.7 65.9 1.0 CD2 C:PHE78 3.7 69.1 1.0 CA C:ALA84 3.9 82.2 1.0 CA C:PHE78 4.0 73.4 1.0 CG C:ARG85 4.0 78.5 1.0 CA C:ARG77 4.1 67.4 1.0 CG C:PHE78 4.1 67.8 1.0 C C:ARG77 4.1 70.2 1.0 CG2 C:VAL81 4.1 62.9 1.0 O C:PHE78 4.2 61.6 1.0 CD C:ARG85 4.2 74.7 1.0 CB C:ARG77 4.3 64.2 1.0 C C:ALA84 4.4 84.8 1.0 CB C:ARG85 4.4 78.0 1.0 CB C:ALA84 4.5 86.2 1.0 C C:PHE78 4.6 63.6 1.0 CZ C:ARG85 4.7 77.6 1.0 CA C:ARG85 4.7 80.7 1.0 CG C:ARG77 4.8 76.2 1.0 CE2 C:PHE78 4.8 69.3 1.0 NE C:ARG85 4.8 76.7 1.0 N C:ALA84 4.9 84.1 1.0

Chlorine binding site 6 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl405 b:73.5 occ:1.00 O D:HOH550 2.5 44.4 1.0 N D:ARG85 3.4 75.3 1.0 NH1 D:ARG85 3.5 62.9 1.0 N D:PHE78 3.5 59.1 1.0 CG D:ARG85 3.6 75.5 1.0 CA D:ALA84 3.7 78.8 1.0 CD D:ARG85 3.9 68.9 1.0 CD2 D:PHE78 3.9 63.5 1.0 CB D:ARG85 4.1 73.5 1.0 C D:ALA84 4.1 75.6 1.0 CB D:PHE78 4.1 59.6 1.0 CB D:ALA84 4.2 85.3 1.0 CA D:ARG77 4.2 61.5 1.0 CA D:ARG85 4.3 72.4 1.0 C D:ARG77 4.3 60.5 1.0 CZ D:ARG85 4.3 65.9 1.0 CA D:PHE78 4.4 54.7 1.0 CG D:PHE78 4.4 62.8 1.0 CB D:ARG77 4.5 65.7 1.0 NE D:ARG85 4.5 68.7 1.0 CG2 D:VAL81 4.5 57.2 1.0 O D:PHE78 4.6 52.0 1.0 CG D:ARG77 4.7 76.4 1.0 CE2 D:PHE78 4.8 66.9 1.0 N D:ALA84 4.8 86.4 1.0

Chlorine binding site 7 out of 7 in the The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Glic Pentameric Ligand-Gated Ion Channel Mutant K248A within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl406 b:78.8 occ:1.00 O E:HOH550 2.8 76.0 1.0 N E:PHE78 3.4 66.6 1.0 N E:ARG85 3.6 87.1 1.0 NH1 E:ARG85 3.6 74.2 1.0 CA E:ALA84 3.8 92.6 1.0 CD2 E:PHE78 3.9 74.5 1.0 CG E:ARG85 3.9 79.4 1.0 CB E:PHE78 4.0 72.0 1.0 CD E:ARG85 4.1 79.7 1.0 CA E:ARG77 4.1 60.0 1.0 CA E:PHE78 4.2 70.6 1.0 C E:ALA84 4.2 93.3 1.0 C E:ARG77 4.3 58.7 1.0 CB E:ALA84 4.3 99.0 1.0 CG2 E:VAL81 4.3 70.6 1.0 CB E:ARG85 4.3 79.9 1.0 CB E:ARG77 4.3 61.2 1.0 CG E:PHE78 4.4 72.5 1.0 O E:PHE78 4.4 69.8 1.0 CZ E:ARG85 4.6 72.8 1.0 CA E:ARG85 4.6 82.5 1.0 CG E:ARG77 4.7 76.6 1.0 NE E:ARG85 4.8 79.2 1.0 C E:PHE78 4.8 70.6 1.0 N E:ALA84 4.9 97.0 1.0 CE2 E:PHE78 4.9 84.4 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