Chlorine in PDB 6f15: Glic Mutant H127Q

The structure of Glic Mutant H127Q, PDB code: 6f15 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)	25.00 / 2.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	183.210, 133.100, 161.770, 90.00, 102.82, 90.00
R / Rfree (%)	20.1 / 22.9

The structure of Glic Mutant H127Q also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Chlorine atom in the Glic Mutant H127Q (pdb code 6f15). 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 H127Q, PDB code: 6f15:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Glic Mutant H127Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glic Mutant H127Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:64.7 occ:1.00 N A:PHE78 3.2 56.8 1.0 NH1 A:ARG85 3.5 73.3 1.0 N A:ARG85 3.7 63.7 1.0 CB A:PHE78 3.8 55.0 1.0 CD2 A:PHE78 3.8 61.7 1.0 CG A:ARG85 3.8 58.0 1.0 CA A:ARG77 3.9 59.9 1.0 CA A:PHE78 4.0 54.6 1.0 C A:ARG77 4.0 62.1 1.0 O A:PHE78 4.1 55.7 1.0 CG2 A:VAL81 4.1 55.7 1.0 CB A:ARG85 4.2 57.8 1.0 CA A:ALA84 4.2 65.2 1.0 CG A:PHE78 4.3 57.9 1.0 CD A:ARG85 4.3 56.9 1.0 CB A:ARG77 4.3 58.7 1.0 C A:ALA84 4.5 69.7 1.0 CG A:ARG77 4.5 69.0 1.0 C A:PHE78 4.5 56.9 1.0 CA A:ARG85 4.6 61.1 1.0 CZ A:ARG85 4.6 74.3 1.0 CB A:ALA84 4.8 68.1 1.0 CE2 A:PHE78 4.9 65.4 1.0 NE A:ARG85 4.9 58.6 1.0

Chlorine binding site 2 out of 7 in the Glic Mutant H127Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glic Mutant H127Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:0.5 occ:1.00 ND2 A:ASN139 3.4 0.7 1.0 OD1 A:ASN139 3.8 95.4 1.0 N A:LEU180 3.8 79.0 1.0 CG A:ASN139 4.0 0.5 1.0 CA A:ARG179 4.1 78.7 1.0 CB A:LEU180 4.2 80.7 1.0 C A:ARG179 4.4 81.0 1.0 CA A:LEU180 4.6 77.7 1.0 CD A:ARG179 4.8 89.9 1.0 CB A:SER134 4.9 83.5 1.0 N A:ARG179 5.0 79.5 1.0

Chlorine binding site 3 out of 7 in the Glic Mutant H127Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glic Mutant H127Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:0.5 occ:1.00 N A:ALA175 3.4 72.1 1.0 CB A:ALA175 3.8 75.7 1.0 CA A:PHE174 4.1 70.3 1.0 C A:PHE174 4.2 75.0 1.0 CA A:ALA175 4.2 72.6 1.0 CB A:PHE174 4.4 68.0 1.0 O A:ALA175 4.9 73.2 1.0

Chlorine binding site 4 out of 7 in the Glic Mutant H127Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glic Mutant H127Q within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:58.2 occ:1.00 N B:PHE78 3.1 59.2 1.0 CB B:PHE78 3.6 57.7 1.0 NH1 B:ARG85 3.7 60.1 1.0 N B:ARG85 3.8 66.4 1.0 CA B:PHE78 3.9 57.1 1.0 CD2 B:PHE78 3.9 65.3 1.0 CG2 B:VAL81 3.9 52.6 1.0 CA B:ARG77 3.9 60.8 1.0 O B:PHE78 4.0 61.0 1.0 C B:ARG77 4.0 63.4 1.0 CG B:ARG85 4.0 60.3 1.0 CB B:ARG77 4.2 61.2 1.0 CG B:PHE78 4.3 60.5 1.0 CB B:ARG85 4.3 61.7 1.0 CA B:ALA84 4.3 69.4 1.0 C B:PHE78 4.4 60.4 1.0 CD B:ARG85 4.5 63.5 1.0 CG B:ARG77 4.5 76.1 1.0 C B:ALA84 4.6 73.0 1.0 NH1 A:ARG105 4.6 67.9 1.0 CA B:ARG85 4.7 64.8 1.0 CZ B:ARG85 4.8 73.2 1.0

Chlorine binding site 5 out of 7 in the Glic Mutant H127Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glic Mutant H127Q within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl404 b:67.6 occ:1.00 N C:ARG85 3.4 69.1 1.0 N C:PHE78 3.5 61.6 1.0 CG C:ARG85 3.8 74.5 1.0 NH1 C:ARG85 3.8 95.3 1.0 CA C:ALA84 4.0 70.3 1.0 CB C:PHE78 4.0 59.4 1.0 CD2 C:PHE78 4.0 65.5 1.0 CG2 C:VAL81 4.0 60.8 1.0 CB C:ARG85 4.0 66.3 1.0 C C:ALA84 4.2 74.0 1.0 CA C:PHE78 4.3 59.2 1.0 O C:PHE78 4.3 62.9 1.0 CA C:ARG77 4.3 63.0 1.0 CD C:ARG85 4.3 86.2 1.0 CA C:ARG85 4.3 67.4 1.0 C C:ARG77 4.4 66.9 1.0 CG C:PHE78 4.5 61.4 1.0 CB C:ARG77 4.6 59.0 1.0 CG C:ARG77 4.7 70.1 1.0 CB C:ALA84 4.7 73.5 1.0 C C:PHE78 4.8 62.6 1.0 O C:ASN83 4.8 69.6 1.0 CZ C:ARG85 4.8 1.0 1.0 NE C:ARG85 5.0 92.7 1.0

Chlorine binding site 6 out of 7 in the Glic Mutant H127Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Glic Mutant H127Q within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl405 b:54.9 occ:1.00 N D:PHE78 3.2 55.8 1.0 NH1 D:ARG85 3.4 63.7 1.0 N D:ARG85 3.7 62.8 1.0 CG D:ARG85 3.7 63.4 1.0 CD2 D:PHE78 3.7 59.7 1.0 CB D:PHE78 3.8 53.7 1.0 CA D:ARG77 3.9 59.6 1.0 C D:ARG77 4.0 62.0 1.0 CA D:PHE78 4.0 53.3 1.0 CB D:ARG85 4.1 59.1 1.0 CD D:ARG85 4.1 64.9 1.0 O D:PHE78 4.2 58.2 1.0 CG D:PHE78 4.2 55.8 1.0 CB D:ARG77 4.3 59.2 1.0 CG2 D:VAL81 4.3 51.7 1.0 CA D:ALA84 4.3 68.3 1.0 CG D:ARG77 4.4 71.9 1.0 C D:ALA84 4.5 70.1 1.0 CA D:ARG85 4.5 60.8 1.0 CZ D:ARG85 4.5 81.4 1.0 C D:PHE78 4.6 57.3 1.0 NE D:ARG85 4.8 73.8 1.0 CE2 D:PHE78 4.8 62.9 1.0 NH1 C:ARG105 4.9 57.3 1.0 CB D:ALA84 4.9 71.9 1.0

Chlorine binding site 7 out of 7 in the Glic Mutant H127Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Glic Mutant H127Q within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl404 b:65.7 occ:1.00 N E:PHE78 3.1 56.3 1.0 NH1 E:ARG85 3.6 76.7 1.0 CB E:PHE78 3.7 56.2 1.0 CD2 E:PHE78 3.7 62.7 1.0 N E:ARG85 3.7 66.1 1.0 CG E:ARG85 3.9 73.4 1.0 CA E:PHE78 3.9 55.7 1.0 CA E:ARG77 4.0 55.3 1.0 CG2 E:VAL81 4.0 54.2 1.0 C E:ARG77 4.0 59.7 1.0 O E:PHE78 4.0 61.5 1.0 CB E:ARG85 4.2 63.9 1.0 CG E:PHE78 4.2 58.4 1.0 CA E:ALA84 4.2 67.9 1.0 CD E:ARG85 4.3 83.1 1.0 CB E:ARG77 4.3 53.2 1.0 C E:PHE78 4.5 61.1 1.0 C E:ALA84 4.5 70.8 1.0 CG E:ARG77 4.6 59.5 1.0 CA E:ARG85 4.6 64.9 1.0 CZ E:ARG85 4.7 95.3 1.0 CE2 E:PHE78 4.9 66.3 1.0 CB E:ALA84 4.9 71.1 1.0 NE E:ARG85 5.0 86.1 1.0 O E:ASN83 5.0 67.7 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