Chlorine in PDB 6f0v: Glic Mutant E82Q

The structure of Glic Mutant E82Q, PDB code: 6f0v 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)	48.97 / 2.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	179.340, 132.500, 158.310, 90.00, 101.21, 90.00
R / Rfree (%)	20.1 / 22.1

The structure of Glic Mutant E82Q also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Chlorine atom in the Glic Mutant E82Q (pdb code 6f0v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Glic Mutant E82Q, PDB code: 6f0v:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Glic Mutant E82Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glic Mutant E82Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:69.9 occ:1.00 N A:PHE78 3.4 68.5 1.0 N A:ARG85 3.4 85.0 1.0 CD1 A:PHE78 3.7 79.8 1.0 CB A:PHE78 3.8 70.9 1.0 CD A:ARG85 3.8 82.6 1.0 CG2 A:VAL81 3.8 77.4 1.0 CB A:ARG85 4.0 78.9 1.0 CA A:ALA84 4.0 90.4 1.0 CA A:ARG77 4.1 62.3 1.0 CA A:PHE78 4.1 68.6 1.0 CG A:ARG85 4.2 79.9 1.0 O A:PHE78 4.2 71.2 1.0 CG A:PHE78 4.2 74.1 1.0 C A:ARG77 4.2 70.0 1.0 C A:ALA84 4.3 92.7 1.0 NH1 A:ARG85 4.3 84.0 1.0 CA A:ARG85 4.3 83.1 1.0 CB A:ARG77 4.4 60.6 1.0 CB A:ALA84 4.5 92.3 1.0 C A:PHE78 4.7 71.2 1.0 CE1 A:PHE78 4.7 81.8 1.0 NE A:ARG85 4.9 78.2 1.0 CB A:VAL81 4.9 77.0 1.0 CG A:ARG77 5.0 70.6 1.0 CG1 A:VAL81 5.0 76.5 1.0

Chlorine binding site 2 out of 7 in the Glic Mutant E82Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glic Mutant E82Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:0.3 occ:1.00 ND2 A:ASN139 3.1 0.4 1.0 N A:LEU180 3.3 64.1 1.0 CA A:ARG179 3.7 67.0 1.0 CG A:ASN139 3.9 96.8 1.0 CB A:LEU180 4.0 63.2 1.0 OD1 A:ASN139 4.0 77.6 1.0 C A:ARG179 4.0 67.4 1.0 CA A:LEU180 4.2 62.5 1.0 CD A:ARG179 4.3 87.9 1.0 CB A:SER134 4.4 75.5 1.0 CB A:ARG179 4.5 67.0 1.0 O A:ASP178 4.6 76.6 1.0 N A:ARG179 4.7 68.8 1.0 CG A:ARG179 4.8 79.6 1.0 OG A:SER134 4.9 83.9 1.0

Chlorine binding site 3 out of 7 in the Glic Mutant E82Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glic Mutant E82Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:0.3 occ:1.00 N A:ALA175 3.6 68.7 1.0 CA A:PHE174 4.0 65.3 1.0 CB A:ALA175 4.1 71.8 1.0 CB A:PHE174 4.3 65.5 1.0 C A:PHE174 4.3 70.2 1.0 CA A:ALA175 4.5 69.3 1.0 O A:ALA175 5.0 75.0 1.0

Chlorine binding site 4 out of 7 in the Glic Mutant E82Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glic Mutant E82Q within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:79.2 occ:1.00 N B:PHE78 3.1 67.2 1.0 CD2 B:PHE78 3.5 77.0 1.0 CB B:PHE78 3.6 69.6 1.0 CD B:ARG85 3.8 90.5 1.0 CA B:PHE78 3.9 67.6 1.0 CG2 B:VAL81 3.9 66.9 1.0 N B:ARG85 3.9 84.7 1.0 CG B:PHE78 4.0 72.8 1.0 NH1 B:ARG85 4.1 79.2 1.0 O B:PHE78 4.1 72.0 1.0 C B:ARG77 4.1 68.1 1.0 CA B:ARG77 4.1 64.7 1.0 CB B:ARG85 4.2 78.0 1.0 CG B:ARG85 4.3 84.2 1.0 CB B:ARG77 4.4 63.0 1.0 C B:PHE78 4.5 71.4 1.0 CA B:ALA84 4.6 89.8 1.0 CE2 B:PHE78 4.6 80.8 1.0 CA B:ARG85 4.7 82.9 1.0 NE B:ARG85 4.8 90.8 1.0 C B:ALA84 4.8 91.7 1.0 CZ B:ARG85 4.9 0.1 1.0 CG1 B:VAL81 5.0 64.9 1.0

Chlorine binding site 5 out of 7 in the Glic Mutant E82Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glic Mutant E82Q within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl403 b:72.8 occ:1.00 N C:PHE78 3.4 70.4 1.0 N C:ARG85 3.5 82.4 1.0 CD2 C:PHE78 3.7 77.3 1.0 CB C:PHE78 3.8 71.1 1.0 CD C:ARG85 3.8 89.8 1.0 CG2 C:VAL81 3.9 74.6 1.0 CB C:ARG85 4.0 78.2 1.0 CA C:PHE78 4.1 69.9 1.0 CA C:ALA84 4.1 85.9 1.0 CA C:ARG77 4.2 69.2 1.0 CG C:ARG85 4.2 81.1 1.0 NH1 C:ARG85 4.2 93.9 1.0 O C:PHE78 4.2 76.6 1.0 CG C:PHE78 4.2 73.8 1.0 C C:ARG77 4.3 74.0 1.0 C C:ALA84 4.4 87.9 1.0 CA C:ARG85 4.4 81.2 1.0 CB C:ARG77 4.5 67.9 1.0 CB C:ALA84 4.7 88.2 1.0 C C:PHE78 4.7 74.8 1.0 CE2 C:PHE78 4.8 81.1 1.0 NE C:ARG85 4.8 93.7 1.0 CG C:ARG77 4.9 78.5 1.0 NH1 B:ARG105 4.9 0.5 1.0 CB C:VAL81 5.0 74.0 1.0 CZ C:ARG85 5.0 0.0 1.0 CG1 C:VAL81 5.0 73.3 1.0

Chlorine binding site 6 out of 7 in the Glic Mutant E82Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Glic Mutant E82Q within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:81.5 occ:1.00 N D:PHE78 3.3 67.7 1.0 CD1 D:PHE78 3.6 76.2 1.0 N D:ARG85 3.6 79.2 1.0 CB D:PHE78 3.7 69.1 1.0 CD D:ARG85 3.8 89.2 1.0 CG2 D:VAL81 3.9 74.7 1.0 CA D:PHE78 4.0 67.5 1.0 CB D:ARG85 4.1 74.9 1.0 CA D:ARG77 4.1 63.3 1.0 C D:ARG77 4.1 70.0 1.0 O D:PHE78 4.2 74.3 1.0 CG D:PHE78 4.2 71.6 1.0 NH1 D:ARG85 4.2 88.5 1.0 CG D:ARG85 4.2 79.3 1.0 CA D:ALA84 4.2 84.9 1.0 CB D:ARG77 4.4 61.8 1.0 C D:ALA84 4.5 86.3 1.0 CA D:ARG85 4.5 77.7 1.0 C D:PHE78 4.6 73.4 1.0 CE1 D:PHE78 4.7 77.7 1.0 CB D:ALA84 4.7 87.3 1.0 CG D:ARG77 4.8 68.9 1.0 NE D:ARG85 4.8 96.8 1.0 CZ D:ARG85 4.9 0.9 1.0

Chlorine binding site 7 out of 7 in the Glic Mutant E82Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Glic Mutant E82Q within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl402 b:91.1 occ:1.00 N E:PHE78 3.2 72.5 1.0 CD1 E:PHE78 3.5 80.8 1.0 CB E:PHE78 3.6 73.5 1.0 N E:ARG85 3.7 88.0 1.0 CG2 E:VAL81 3.9 81.7 1.0 CD E:ARG85 3.9 82.6 1.0 CA E:PHE78 4.0 71.6 1.0 CA E:ARG77 4.0 70.4 1.0 CG E:PHE78 4.1 76.2 1.0 O E:PHE78 4.1 75.5 1.0 C E:ARG77 4.1 75.8 1.0 CB E:ARG85 4.1 83.1 1.0 NH1 E:ARG85 4.2 77.7 1.0 CG E:ARG85 4.3 80.1 1.0 CA E:ALA84 4.3 92.7 1.0 CB E:ARG77 4.3 68.4 1.0 C E:PHE78 4.5 74.4 1.0 C E:ALA84 4.5 94.9 1.0 CA E:ARG85 4.5 86.3 1.0 CE1 E:PHE78 4.6 81.9 1.0 CG E:ARG77 4.7 78.2 1.0 CB E:ALA84 4.8 95.4 1.0 NE E:ARG85 4.9 83.8 1.0 CB E:VAL81 5.0 80.9 1.0 CG1 E:VAL81 5.0 80.3 1.0 CZ E:ARG85 5.0 96.6 1.0

A.Nemecz, H.Hu, Z.Fourati, C.Van Renterghem, M.Delarue, P.J.Corringer. Full Mutational Mapping of Titratable Residues Helps to Identify Proton-Sensors Involved in the Control of Channel Gating in the Gloeobacter Violaceus Pentameric Ligand-Gated Ion Channel. Plos Biol. V. 15 04470 2017.
ISSN: ESSN 1545-7885
PubMed: 29281623
DOI: 10.1371/JOURNAL.PBIO.2004470