Bromine in PDB 5iux: Glic-V135C Bimane Labelled X-Ray Structure

The structure of Glic-V135C Bimane Labelled X-Ray Structure, PDB code: 5iux was solved by Z.Fourati, A.Menny, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	182.034, 134.075, 159.945, 90.00, 102.51, 90.00
R / Rfree (%)	20.3 / 23.7

The structure of Glic-V135C Bimane Labelled X-Ray Structure also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Bromine atom in the Glic-V135C Bimane Labelled X-Ray Structure (pdb code 5iux). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Glic-V135C Bimane Labelled X-Ray Structure, PDB code: 5iux:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Glic-V135C Bimane Labelled X-Ray Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Glic-V135C Bimane Labelled X-Ray Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Br508 b:0.2 occ:1.00 N A:PHE78 3.4 73.8 1.0 CD2 A:PHE78 3.7 83.8 1.0 CG A:ARG85 3.8 0.4 1.0 CB A:PHE78 3.9 77.7 1.0 CA A:ARG77 4.1 71.9 1.0 CG2 A:VAL81 4.1 86.6 1.0 O A:PHE78 4.1 80.4 1.0 CA A:PHE78 4.1 75.0 1.0 N A:ARG85 4.1 0.5 1.0 C A:ARG77 4.2 75.0 1.0 CB A:ARG77 4.3 68.6 1.0 CG A:PHE78 4.3 80.7 1.0 CB A:ALA84 4.3 0.3 1.0 CA A:ALA84 4.5 0.6 1.0 NH1 A:ARG85 4.5 1.0 1.0 C A:PHE78 4.6 79.6 1.0 CB A:ARG85 4.6 0.8 1.0 CG A:ARG77 4.7 71.7 1.0 CE2 A:PHE78 4.8 87.2 1.0 C A:ALA84 4.8 0.3 1.0 CZ A:ARG85 4.9 0.4 1.0 CD A:ARG85 4.9 0.6 1.0 CA A:ARG85 5.0 0.0 1.0

Bromine binding site 2 out of 5 in the Glic-V135C Bimane Labelled X-Ray Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Glic-V135C Bimane Labelled X-Ray Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Br605 b:0.7 occ:1.00 N B:PHE78 3.2 73.9 1.0 CG B:ARG85 3.7 0.5 1.0 CD2 B:PHE78 3.7 81.4 1.0 CB B:PHE78 3.8 75.8 1.0 CA B:ARG77 4.0 75.1 1.0 CA B:PHE78 4.0 73.8 1.0 NH1 B:ARG85 4.1 0.3 1.0 C B:ARG77 4.1 77.2 1.0 CG B:PHE78 4.1 78.6 1.0 CB B:ARG77 4.1 73.8 1.0 O B:PHE78 4.3 78.5 1.0 CB B:ARG85 4.4 0.1 1.0 CG2 B:VAL81 4.4 75.8 1.0 CZ B:ARG85 4.4 1.0 1.0 CG B:ARG77 4.5 81.5 1.0 CD B:ARG85 4.6 0.8 1.0 C B:PHE78 4.7 77.7 1.0 NE B:ARG85 4.7 0.1 1.0 CE2 B:PHE78 4.7 85.1 1.0 N B:ARG85 4.7 0.2 1.0

Bromine binding site 3 out of 5 in the Glic-V135C Bimane Labelled X-Ray Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Glic-V135C Bimane Labelled X-Ray Structure within 5.0Å range: probe atom residue distance (Å) B Occ C:Br605 b:1.0 occ:1.00 N C:PHE78 3.3 78.8 1.0 NH1 C:ARG85 3.6 0.0 1.0 CB C:PHE78 3.9 80.2 1.0 CD2 C:PHE78 4.0 86.3 1.0 CA C:ARG77 4.0 82.2 1.0 CG C:ARG85 4.1 0.9 1.0 CB C:ARG77 4.1 81.0 1.0 CA C:PHE78 4.1 78.3 1.0 C C:ARG77 4.2 83.5 1.0 N C:ARG85 4.2 0.6 1.0 CG2 C:VAL81 4.2 80.9 1.0 O C:PHE78 4.3 84.2 1.0 CA C:ALA84 4.4 0.3 1.0 CG C:PHE78 4.4 82.9 1.0 CG C:ARG77 4.4 93.1 1.0 CB C:ALA84 4.5 0.1 1.0 CZ C:ARG85 4.6 0.6 1.0 CB C:ARG85 4.6 0.3 1.0 CD C:ARG85 4.7 0.6 1.0 C C:PHE78 4.7 82.7 1.0 C C:ALA84 4.8 0.0 1.0

Bromine binding site 4 out of 5 in the Glic-V135C Bimane Labelled X-Ray Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Glic-V135C Bimane Labelled X-Ray Structure within 5.0Å range: probe atom residue distance (Å) B Occ D:Br605 b:0.6 occ:1.00 N D:PHE78 3.4 73.7 1.0 CB D:PHE78 3.8 75.2 1.0 CD2 D:PHE78 3.8 80.8 1.0 CG D:ARG85 3.9 0.5 1.0 NH1 D:ARG85 4.0 1.0 1.0 N D:ARG85 4.1 0.7 1.0 CA D:PHE78 4.1 73.3 1.0 CG2 D:VAL81 4.2 82.9 1.0 CA D:ARG77 4.2 73.3 1.0 O D:PHE78 4.2 78.6 1.0 CA D:ALA84 4.3 0.2 1.0 C D:ARG77 4.3 76.6 1.0 CG D:PHE78 4.3 77.9 1.0 CB D:ALA84 4.3 0.9 1.0 CB D:ARG77 4.4 71.1 1.0 CB D:ARG85 4.6 0.9 1.0 C D:ALA84 4.6 0.8 1.0 C D:PHE78 4.7 78.1 1.0 CD D:ARG85 4.7 0.6 1.0 CZ D:ARG85 4.8 0.1 1.0 CG D:ARG77 4.9 78.5 1.0 CA D:ARG85 4.9 0.3 1.0 CE2 D:PHE78 4.9 84.5 1.0

Bromine binding site 5 out of 5 in the Glic-V135C Bimane Labelled X-Ray Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Glic-V135C Bimane Labelled X-Ray Structure within 5.0Å range: probe atom residue distance (Å) B Occ E:Br407 b:0.4 occ:1.00 N E:PHE78 3.3 82.0 1.0 CD2 E:PHE78 3.8 90.2 1.0 CB E:PHE78 3.8 84.3 1.0 NH1 E:ARG85 3.9 0.1 1.0 CG E:ARG85 4.0 0.1 1.0 CA E:PHE78 4.1 82.0 1.0 CA E:ARG77 4.1 84.8 1.0 CG2 E:VAL81 4.1 85.6 1.0 O E:PHE78 4.1 85.0 1.0 C E:ARG77 4.2 85.7 1.0 CB E:ARG77 4.2 85.0 1.0 CG E:PHE78 4.2 87.0 1.0 N E:ARG85 4.4 0.3 1.0 C E:PHE78 4.6 84.5 1.0 CZ E:ARG85 4.6 0.2 1.0 CG E:ARG77 4.7 95.2 1.0 CB E:ARG85 4.7 0.4 1.0 CD E:ARG85 4.9 0.6 1.0 CE2 E:PHE78 4.9 93.9 1.0 CA E:ALA84 4.9 0.9 1.0 CB E:ALA84 5.0 0.6 1.0

A.Menny, S.N.Lefebvre, P.A.Schmidpeter, E.Drege, Z.Fourati, M.Delarue, S.J.Edelstein, C.M.Nimigean, D.Joseph, P.J.Corringer. Identification of A Pre-Active Conformation of A Pentameric Channel Receptor. Elife V. 6 2017.
ISSN: ESSN 2050-084X
PubMed: 28294942
DOI: 10.7554/ELIFE.23955