Chlorine in PDB 5l4e: X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental

The structure of X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental, PDB code: 5l4e was solved by Z.Fourati, R.R.Ruza, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.41 / 3.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	182.025, 134.581, 159.018, 90.00, 101.88, 90.00
R / Rfree (%)	22.9 / 24.9

The binding sites of Chlorine atom in the X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental (pdb code 5l4e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental, PDB code: 5l4e:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:0.6 occ:1.00 N A:PHE78 3.1 0.1 1.0 CD2 A:PHE78 3.5 0.8 1.0 NH1 A:ARG85 3.5 0.7 1.0 CB A:PHE78 3.7 0.1 1.0 CG A:ARG85 3.7 0.9 1.0 CA A:ARG77 3.9 1.0 1.0 CA A:PHE78 3.9 1.0 1.0 CG2 A:VAL81 4.0 0.7 1.0 C A:ARG77 4.0 0.6 1.0 N A:ARG85 4.0 0.8 1.0 CG A:PHE78 4.1 0.3 1.0 O A:PHE78 4.1 0.2 1.0 CB A:ARG77 4.3 0.8 1.0 CB A:ARG85 4.4 0.9 1.0 CA A:ALA84 4.4 0.9 1.0 CD A:ARG85 4.5 1.0 1.0 CZ A:ARG85 4.5 0.3 1.0 C A:PHE78 4.5 0.4 1.0 CE2 A:PHE78 4.6 0.8 1.0 CB A:ALA84 4.7 0.7 1.0 C A:ALA84 4.8 0.7 1.0 CA A:ARG85 4.9 0.1 1.0 NE A:ARG85 4.9 0.9 1.0 CG A:ARG77 5.0 0.7 1.0

Chlorine binding site 2 out of 5 in the X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:0.3 occ:1.00 N B:PHE78 3.2 94.8 1.0 CG2 B:VAL81 3.7 0.3 1.0 CG B:ARG85 3.7 0.6 1.0 CD B:ARG85 3.8 0.1 1.0 CB B:PHE78 3.8 96.2 1.0 CD2 B:PHE78 3.9 0.6 1.0 O B:PHE78 4.0 93.6 1.0 CA B:PHE78 4.0 93.8 1.0 CA B:ARG77 4.1 96.6 1.0 N B:ARG85 4.1 0.4 1.0 C B:ARG77 4.1 99.4 1.0 CB B:ARG77 4.3 96.2 1.0 CG B:PHE78 4.4 98.7 1.0 CB B:ARG85 4.5 0.2 1.0 C B:PHE78 4.5 95.6 1.0 CA B:ALA84 4.5 0.2 1.0 C B:ALA84 4.9 0.2 1.0 CA B:ARG85 4.9 0.3 1.0 CB B:ALA84 4.9 0.0 1.0 CG B:ARG77 5.0 0.9 1.0 CB B:VAL81 5.0 0.6 1.0

Chlorine binding site 3 out of 5 in the X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:0.6 occ:1.00 N C:PHE78 3.2 0.6 1.0 CB C:PHE78 3.8 0.1 1.0 CD2 C:PHE78 3.8 0.9 1.0 CG2 C:VAL81 3.9 0.9 1.0 N C:ARG85 3.9 0.5 1.0 CG C:ARG85 4.0 0.5 1.0 NH1 C:ARG85 4.0 0.6 1.0 CA C:PHE78 4.0 0.6 1.0 O C:PHE78 4.0 0.3 1.0 CA C:ARG77 4.1 0.1 1.0 C C:ARG77 4.1 0.4 1.0 CA C:ALA84 4.3 0.6 1.0 CG C:PHE78 4.3 0.5 1.0 CB C:ARG77 4.4 0.1 1.0 CB C:ARG85 4.4 0.9 1.0 C C:PHE78 4.5 0.4 1.0 CB C:ALA84 4.6 0.3 1.0 C C:ALA84 4.6 0.7 1.0 CD C:ARG85 4.8 0.2 1.0 CA C:ARG85 4.8 0.2 1.0 CE2 C:PHE78 4.9 0.3 1.0 CZ C:ARG85 4.9 0.1 1.0

Chlorine binding site 4 out of 5 in the X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:0.9 occ:1.00 N D:PHE78 3.4 0.1 1.0 CD2 D:PHE78 3.9 0.9 1.0 CB D:ARG85 3.9 0.8 1.0 N D:ARG85 4.0 0.9 1.0 CG2 D:VAL81 4.1 0.5 1.0 CA D:ARG77 4.1 0.9 1.0 CB D:PHE78 4.1 0.8 1.0 C D:ARG77 4.2 0.1 1.0 CA D:PHE78 4.3 0.8 1.0 O D:PHE78 4.3 0.3 1.0 CB D:ARG77 4.4 0.8 1.0 CG D:PHE78 4.5 0.8 1.0 CA D:ARG85 4.6 0.9 1.0 CA D:ALA84 4.6 0.4 1.0 C D:PHE78 4.8 0.2 1.0 C D:ALA84 4.9 0.5 1.0 NE D:ARG85 4.9 0.5 1.0 CG D:ARG77 4.9 0.7 1.0 CE2 D:PHE78 4.9 0.6 1.0

Chlorine binding site 5 out of 5 in the X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with Thiopental within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:0.9 occ:1.00 N E:PHE78 3.6 0.6 1.0 CA E:ALA84 3.7 0.3 1.0 CG2 E:VAL81 3.7 0.2 1.0 CB E:ALA84 3.8 0.1 1.0 N E:ARG85 3.9 0.1 1.0 O E:PHE78 4.1 0.4 1.0 CB E:PHE78 4.2 0.2 1.0 CD2 E:PHE78 4.3 0.8 1.0 C E:ALA84 4.3 0.5 1.0 CA E:ARG77 4.4 0.6 1.0 CA E:PHE78 4.4 0.3 1.0 CB E:ARG77 4.4 0.6 1.0 CG E:ARG85 4.5 0.8 1.0 C E:ARG77 4.5 0.3 1.0 C E:PHE78 4.7 0.2 1.0 NH1 E:ARG85 4.8 0.2 1.0 N E:ALA84 4.8 0.9 1.0 CG E:PHE78 4.8 0.1 1.0 CB E:ARG85 4.8 0.0 1.0 CB E:VAL81 5.0 0.6 1.0 CG E:ARG77 5.0 0.6 1.0 CA E:ARG85 5.0 0.5 1.0

Z.Fourati, R.R.Ruza, D.Laverty, E.Drege, S.Delarue-Cochin, D.Joseph, P.Koehl, T.Smart, M.Delarue. Barbiturates Bind in the Glic Ion Channel Pore and Cause Inhibition By Stabilizing A Closed State. J. Biol. Chem. V. 292 1550 2017.
ISSN: ESSN 1083-351X
PubMed: 27986812
DOI: 10.1074/JBC.M116.766964