Chlorine in PDB 6f13: Glic Mutant E75A

The structure of Glic Mutant E75A, PDB code: 6f13 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)	49.10 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	179.948, 132.450, 159.234, 90.00, 101.95, 90.00
R / Rfree (%)	20.3 / 22.3

The structure of Glic Mutant E75A also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Chlorine atom in the Glic Mutant E75A (pdb code 6f13). 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 E75A, PDB code: 6f13:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Glic Mutant E75A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glic Mutant E75A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:67.9 occ:1.00 O E:HOH544 2.9 91.3 1.0 N A:PHE78 3.3 56.6 1.0 NH1 A:ARG85 3.4 59.0 1.0 N A:ARG85 3.6 68.3 1.0 CB A:PHE78 3.9 58.3 1.0 CA A:ARG77 4.0 55.0 1.0 CA A:ALA84 4.0 68.8 1.0 C A:ARG77 4.1 59.6 1.0 CG A:ARG85 4.1 62.9 1.0 CG A:PHE78 4.1 62.1 1.0 CD A:ARG85 4.1 72.5 1.0 CG2 A:VAL81 4.1 59.5 1.0 CA A:PHE78 4.1 55.8 1.0 CB A:ARG85 4.2 63.3 1.0 CD1 A:PHE78 4.3 67.8 1.0 CB A:ARG77 4.3 53.6 1.0 O A:PHE78 4.3 54.4 1.0 C A:ALA84 4.3 73.7 1.0 CB A:ALA84 4.4 69.7 1.0 CZ A:ARG85 4.5 74.3 1.0 CA A:ARG85 4.5 67.1 1.0 CG A:ARG77 4.5 56.8 1.0 C A:PHE78 4.7 56.0 1.0 NE A:ARG85 4.8 71.3 1.0 CD2 A:PHE78 4.9 65.6 1.0

Chlorine binding site 2 out of 7 in the Glic Mutant E75A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glic Mutant E75A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:0.2 occ:1.00 N A:LEU180 3.2 53.1 1.0 OD1 A:ASN139 3.3 80.0 1.0 CA A:ARG179 3.6 58.3 1.0 CB A:LEU180 3.8 51.2 1.0 C A:ARG179 3.9 57.1 1.0 CA A:LEU180 4.1 51.3 1.0 CG A:ASN139 4.3 83.1 1.0 CB A:SER134 4.3 64.5 1.0 O A:ASP178 4.3 71.8 1.0 CD A:ARG179 4.4 73.0 1.0 CB A:ARG179 4.4 56.9 1.0 N A:ARG179 4.6 60.4 1.0 OG A:SER134 4.7 74.6 1.0 CG A:ARG179 4.8 67.3 1.0 C A:ASP178 4.8 68.7 1.0 ND2 A:ASN139 4.9 76.0 1.0

Chlorine binding site 3 out of 7 in the Glic Mutant E75A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glic Mutant E75A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:93.2 occ:1.00 N A:ALA175 3.7 55.0 1.0 CB A:ALA175 4.2 56.2 1.0 CA A:PHE174 4.2 56.1 1.0 C A:PHE174 4.4 58.8 1.0 CA A:ALA175 4.6 54.6 1.0 CB A:PHE174 4.6 55.8 1.0

Chlorine binding site 4 out of 7 in the Glic Mutant E75A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glic Mutant E75A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:72.0 occ:1.00 N B:PHE78 3.2 56.8 1.0 NH1 B:ARG85 3.3 51.4 1.0 CB B:PHE78 3.6 58.4 1.0 N B:ARG85 3.6 70.7 1.0 CG B:PHE78 3.9 61.7 1.0 CG2 B:VAL81 4.0 65.0 1.0 CA B:PHE78 4.0 56.5 1.0 CD B:ARG85 4.0 67.3 1.0 CD1 B:PHE78 4.0 67.8 1.0 CA B:ARG77 4.0 54.7 1.0 CG B:ARG85 4.1 70.3 1.0 C B:ARG77 4.1 59.1 1.0 CB B:ARG85 4.1 66.9 1.0 CA B:ALA84 4.2 75.4 1.0 O B:PHE78 4.3 61.5 1.0 CZ B:ARG85 4.4 71.3 1.0 CB B:ARG77 4.4 51.1 1.0 C B:ALA84 4.4 77.4 1.0 CA B:ARG85 4.5 69.7 1.0 CD2 B:PHE78 4.6 65.2 1.0 C B:PHE78 4.6 60.1 1.0 NE B:ARG85 4.6 66.4 1.0 CB B:ALA84 4.6 77.1 1.0 CG B:ARG77 4.7 52.2 1.0 CE1 B:PHE78 4.8 69.1 1.0

Chlorine binding site 5 out of 7 in the Glic Mutant E75A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glic Mutant E75A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl405 b:68.6 occ:1.00 N C:PHE78 3.4 63.8 1.0 NH1 C:ARG85 3.6 52.6 1.0 N C:ARG85 3.6 76.7 1.0 CB C:PHE78 3.8 65.5 1.0 CG2 C:VAL81 3.9 63.4 1.0 CA C:ALA84 4.0 77.6 1.0 CA C:ARG77 4.1 61.0 1.0 CA C:PHE78 4.2 63.3 1.0 CG C:PHE78 4.2 68.9 1.0 O C:PHE78 4.2 65.6 1.0 CG C:ARG85 4.2 70.7 1.0 C C:ARG77 4.2 66.2 1.0 CB C:ARG85 4.3 71.4 1.0 CD C:ARG85 4.3 77.4 1.0 C C:ALA84 4.3 82.1 1.0 CB C:ARG77 4.3 56.3 1.0 CB C:ALA84 4.3 79.3 1.0 CD1 C:PHE78 4.4 74.7 1.0 CG C:ARG77 4.5 59.7 1.0 CA C:ARG85 4.6 75.2 1.0 CZ C:ARG85 4.7 75.2 1.0 C C:PHE78 4.7 65.3 1.0 CD2 C:PHE78 4.9 73.1 1.0 NE C:ARG85 4.9 69.6 1.0

Chlorine binding site 6 out of 7 in the Glic Mutant E75A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Glic Mutant E75A within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl405 b:63.5 occ:1.00 O D:HOH541 2.9 66.8 1.0 NH1 D:ARG85 3.1 50.3 1.0 N D:ARG85 3.4 61.9 1.0 N D:PHE78 3.4 56.7 1.0 CG D:ARG85 3.8 54.6 1.0 CD D:ARG85 3.8 65.0 1.0 CB D:PHE78 3.9 59.0 1.0 CB D:ARG85 3.9 56.9 1.0 CG D:PHE78 4.0 62.5 1.0 CD1 D:PHE78 4.1 67.4 1.0 CA D:ALA84 4.1 63.9 1.0 CA D:ARG77 4.1 55.8 1.0 CZ D:ARG85 4.2 71.0 1.0 C D:ARG77 4.2 60.9 1.0 CA D:PHE78 4.2 56.2 1.0 CA D:ARG85 4.3 60.5 1.0 C D:ALA84 4.3 67.8 1.0 CG2 D:VAL81 4.4 58.4 1.0 NE D:ARG85 4.4 67.4 1.0 CB D:ALA84 4.5 64.8 1.0 CB D:ARG77 4.6 53.9 1.0 O D:PHE78 4.6 59.3 1.0 CD2 D:PHE78 4.7 66.7 1.0 CG D:ARG77 4.7 53.6 1.0 CE1 D:PHE78 4.8 69.2 1.0 C D:PHE78 4.9 58.3 1.0 O D:ILE76 5.0 61.1 1.0

Chlorine binding site 7 out of 7 in the Glic Mutant E75A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Glic Mutant E75A within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl404 b:72.1 occ:1.00 N E:PHE78 3.3 60.4 1.0 NH1 E:ARG85 3.3 63.6 1.0 N E:ARG85 3.6 79.5 1.0 CB E:PHE78 3.7 62.9 1.0 CG E:PHE78 4.0 65.4 1.0 CA E:ARG77 4.0 58.1 1.0 CD E:ARG85 4.0 75.8 1.0 CG E:ARG85 4.1 80.9 1.0 CG2 E:VAL81 4.1 65.9 1.0 CA E:PHE78 4.1 60.9 1.0 CD1 E:PHE78 4.1 71.4 1.0 C E:ARG77 4.1 62.3 1.0 CB E:ARG85 4.1 77.4 1.0 CA E:ALA84 4.2 80.7 1.0 O E:PHE78 4.3 64.6 1.0 CB E:ARG77 4.4 54.9 1.0 CZ E:ARG85 4.4 75.0 1.0 C E:ALA84 4.4 84.2 1.0 CA E:ARG85 4.5 78.9 1.0 CG E:ARG77 4.6 60.3 1.0 CB E:ALA84 4.7 82.1 1.0 NE E:ARG85 4.7 66.5 1.0 CD2 E:PHE78 4.7 67.9 1.0 C E:PHE78 4.7 63.3 1.0 CE1 E:PHE78 4.9 72.8 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