Chlorine in PDB 6f16: Glic Mutant H277Q

The structure of Glic Mutant H277Q, PDB code: 6f16 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)	21.30 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	182.700, 132.780, 161.550, 90.00, 102.96, 90.00
R / Rfree (%)	20.1 / 21.9

The structure of Glic Mutant H277Q also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Chlorine atom in the Glic Mutant H277Q (pdb code 6f16). 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 H277Q, PDB code: 6f16:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Glic Mutant H277Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glic Mutant H277Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:37.7 occ:1.00 N A:PHE78 3.4 32.0 1.0 NH1 A:ARG85 3.4 39.6 1.0 N A:ARG85 3.6 44.0 1.0 CD2 A:PHE78 3.6 44.8 1.0 CB A:PHE78 3.9 35.8 1.0 CA A:ALA84 3.9 42.1 1.0 CG A:ARG85 4.0 46.1 1.0 CA A:ARG77 4.0 29.3 1.0 CG2 A:VAL81 4.1 31.6 1.0 CA A:PHE78 4.2 33.2 1.0 C A:ARG77 4.2 34.2 1.0 CG A:PHE78 4.2 39.9 1.0 O A:PHE78 4.3 36.7 1.0 CB A:ARG85 4.3 40.6 1.0 CB A:ARG77 4.3 26.8 1.0 C A:ALA84 4.3 48.0 1.0 CB A:ALA84 4.3 42.6 1.0 CD A:ARG85 4.5 55.9 1.0 CZ A:ARG85 4.6 56.5 1.0 CA A:ARG85 4.6 43.4 1.0 CG A:ARG77 4.6 32.4 1.0 CE2 A:PHE78 4.7 49.5 1.0 C A:PHE78 4.7 36.2 1.0 NE A:ARG85 4.9 53.8 1.0

Chlorine binding site 2 out of 7 in the Glic Mutant H277Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glic Mutant H277Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:61.9 occ:1.00 OD1 A:ASN139 3.5 51.0 1.0 N A:LEU180 3.5 35.4 1.0 ND2 A:ASN139 3.6 74.0 1.0 CB A:LEU180 3.7 36.3 1.0 CG A:ASN139 3.9 70.0 1.0 CA A:ARG179 4.0 39.5 1.0 C A:ARG179 4.2 39.3 1.0 CA A:LEU180 4.2 34.6 1.0 CB A:SER134 4.5 41.2 1.0 CD A:ARG179 4.7 50.0 1.0 CB A:ARG179 4.8 36.8 1.0 O A:ASP178 4.8 51.4 1.0 N A:ARG179 4.9 41.6 1.0

Chlorine binding site 3 out of 7 in the Glic Mutant H277Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glic Mutant H277Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:65.9 occ:1.00 N A:ALA175 3.5 33.6 1.0 CB A:ALA175 3.9 36.0 1.0 CA A:PHE174 4.1 31.3 1.0 C A:PHE174 4.2 36.3 1.0 CA A:ALA175 4.3 33.6 1.0 CB A:PHE174 4.5 30.5 1.0 O A:ALA175 4.9 38.3 1.0

Chlorine binding site 4 out of 7 in the Glic Mutant H277Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glic Mutant H277Q within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:49.1 occ:1.00 N B:PHE78 3.3 30.7 1.0 CD2 B:PHE78 3.4 45.5 1.0 NH1 B:ARG85 3.5 27.7 1.0 N B:ARG85 3.6 46.0 1.0 CB B:PHE78 3.8 35.0 1.0 CG B:ARG85 3.9 48.3 1.0 CA B:ARG77 4.0 26.7 1.0 CA B:ALA84 4.0 49.0 1.0 CA B:PHE78 4.1 31.9 1.0 CG B:PHE78 4.1 39.5 1.0 C B:ARG77 4.1 32.1 1.0 CG2 B:VAL81 4.1 34.7 1.0 CB B:ARG85 4.2 42.0 1.0 O B:PHE78 4.3 36.9 1.0 C B:ALA84 4.3 52.7 1.0 CB B:ARG77 4.4 22.4 1.0 CD B:ARG85 4.4 50.4 1.0 CB B:ALA84 4.5 50.2 1.0 CE2 B:PHE78 4.5 49.9 1.0 CA B:ARG85 4.5 44.7 1.0 CZ B:ARG85 4.6 54.9 1.0 C B:PHE78 4.7 35.4 1.0 CG B:ARG77 4.7 32.3 1.0 NE B:ARG85 4.9 52.6 1.0

Chlorine binding site 5 out of 7 in the Glic Mutant H277Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glic Mutant H277Q within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl405 b:46.2 occ:1.00 NH1 C:ARG85 3.4 34.0 1.0 N C:PHE78 3.4 33.3 1.0 CD2 C:PHE78 3.6 44.3 1.0 N C:ARG85 3.6 46.5 1.0 CB C:PHE78 3.9 35.0 1.0 CG C:ARG85 3.9 43.5 1.0 CA C:ALA84 4.0 44.6 1.0 CA C:ARG77 4.1 29.7 1.0 CG2 C:VAL81 4.1 33.8 1.0 CA C:PHE78 4.2 33.0 1.0 CB C:ARG85 4.2 41.6 1.0 CG C:PHE78 4.2 38.9 1.0 C C:ARG77 4.2 34.7 1.0 C C:ALA84 4.3 50.3 1.0 O C:PHE78 4.3 35.6 1.0 CB C:ARG77 4.3 27.2 1.0 CD C:ARG85 4.4 48.0 1.0 CB C:ALA84 4.4 45.6 1.0 CZ C:ARG85 4.5 47.6 1.0 CA C:ARG85 4.5 45.5 1.0 CE2 C:PHE78 4.6 48.4 1.0 CG C:ARG77 4.7 36.7 1.0 C C:PHE78 4.8 35.4 1.0 NE C:ARG85 4.9 43.7 1.0

Chlorine binding site 6 out of 7 in the Glic Mutant H277Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Glic Mutant H277Q within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl403 b:41.8 occ:1.00 NH1 D:ARG85 3.3 32.4 1.0 N D:PHE78 3.3 31.2 1.0 CD2 D:PHE78 3.5 43.1 1.0 N D:ARG85 3.6 41.0 1.0 CB D:PHE78 3.8 34.0 1.0 CG D:ARG85 3.9 41.2 1.0 CA D:ARG77 4.0 26.4 1.0 CA D:ALA84 4.0 41.4 1.0 CG D:PHE78 4.1 38.1 1.0 CA D:PHE78 4.1 31.1 1.0 C D:ARG77 4.1 33.4 1.0 CG2 D:VAL81 4.2 29.1 1.0 CB D:ARG85 4.2 37.5 1.0 O D:PHE78 4.3 34.6 1.0 CD D:ARG85 4.3 44.0 1.0 C D:ALA84 4.3 46.6 1.0 CB D:ARG77 4.3 22.6 1.0 CZ D:ARG85 4.4 52.2 1.0 CB D:ALA84 4.5 42.3 1.0 CA D:ARG85 4.5 40.0 1.0 CE2 D:PHE78 4.5 47.1 1.0 CG D:ARG77 4.7 26.1 1.0 C D:PHE78 4.7 33.7 1.0 NE D:ARG85 4.8 50.0 1.0

Chlorine binding site 7 out of 7 in the Glic Mutant H277Q


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Glic Mutant H277Q within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl404 b:50.1 occ:1.00 N E:PHE78 3.3 35.6 1.0 NH1 E:ARG85 3.3 38.4 1.0 CD2 E:PHE78 3.6 48.6 1.0 N E:ARG85 3.7 49.7 1.0 CB E:PHE78 3.9 38.9 1.0 CA E:ARG77 4.0 32.7 1.0 CG E:ARG85 4.0 48.6 1.0 CA E:ALA84 4.1 50.0 1.0 C E:ARG77 4.1 37.9 1.0 CA E:PHE78 4.1 36.3 1.0 CG2 E:VAL81 4.2 35.8 1.0 CG E:PHE78 4.2 42.8 1.0 O E:PHE78 4.3 37.6 1.0 CB E:ARG77 4.3 28.2 1.0 CB E:ARG85 4.3 46.4 1.0 C E:ALA84 4.4 54.1 1.0 CD E:ARG85 4.4 45.0 1.0 CB E:ALA84 4.4 51.1 1.0 CZ E:ARG85 4.5 50.8 1.0 CG E:ARG77 4.6 38.9 1.0 CE2 E:PHE78 4.6 52.5 1.0 CA E:ARG85 4.6 48.5 1.0 C E:PHE78 4.7 37.6 1.0 NE E:ARG85 4.9 37.0 1.0 O E:ILE76 5.0 41.5 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