Iodine in PDB 3ria: C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide.

The structure of C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide., PDB code: 3ria was solved by R.E.Hibbs, E.Gouaux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.78 / 3.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	155.099, 155.099, 578.257, 90.00, 90.00, 90.00
R / Rfree (%)	26.6 / 28

The structure of C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide. also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iodine atom in the C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide. (pdb code 3ria). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide., PDB code: 3ria:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide. within 5.0Å range: probe atom residue distance (Å) B Occ A:I351 b:0.6 occ:1.00 CB A:ALA241 2.4 0.6 1.0 CA A:ALA241 3.1 0.8 1.0 C A:ALA241 3.6 0.1 1.0 CG2 E:ILE242 3.6 0.7 1.0 CG E:PRO243 3.7 85.8 1.0 O A:ALA241 3.8 0.8 1.0 CD E:PRO243 3.9 85.5 1.0 CD A:PRO243 3.9 80.3 1.0 N A:ALA244 4.1 0.3 1.0 CG A:PRO243 4.2 81.1 1.0 CB A:PRO243 4.2 79.7 1.0 CB A:ALA244 4.3 0.7 1.0 N A:ALA241 4.4 0.4 1.0 N A:ILE242 4.5 95.7 1.0 N A:PRO243 4.5 78.4 1.0 N E:PRO243 4.7 83.4 1.0 CA A:ALA244 4.8 0.1 1.0 CA A:PRO243 4.9 78.0 1.0 CB E:PRO243 4.9 84.0 1.0 C A:PRO243 5.0 76.5 1.0

Iodine binding site 2 out of 4 in the C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide. within 5.0Å range: probe atom residue distance (Å) B Occ B:I351 b:0.1 occ:1.00 CB B:ALA241 3.0 0.4 1.0 CA B:ALA241 3.3 0.1 1.0 CD B:PRO243 3.3 0.0 1.0 CG A:PRO243 3.4 81.1 1.0 CG B:PRO243 3.5 0.8 1.0 CB B:PRO243 3.6 0.5 1.0 C B:ALA241 3.7 0.1 1.0 O B:ALA241 3.9 0.9 1.0 N B:ALA244 3.9 78.2 1.0 CD A:PRO243 3.9 80.3 1.0 N B:PRO243 4.0 0.0 1.0 CG2 A:ILE242 4.3 96.1 1.0 N B:ILE242 4.3 87.8 1.0 CA B:PRO243 4.3 0.6 1.0 CB B:ALA244 4.5 78.2 1.0 CB A:PRO243 4.5 79.7 1.0 C B:PRO243 4.6 0.2 1.0 N B:ALA241 4.7 0.8 1.0 N A:PRO243 4.8 78.4 1.0 CA B:ALA244 4.8 77.2 1.0 C B:ILE242 4.9 85.5 1.0 CA A:PRO243 5.0 78.0 1.0

Iodine binding site 3 out of 4 in the C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide. within 5.0Å range: probe atom residue distance (Å) B Occ D:I349 b:0.1 occ:1.00 CB D:ALA241 2.4 0.4 1.0 CG2 C:ILE242 2.9 0.9 1.0 CA D:ALA241 3.5 0.8 1.0 CD C:PRO243 3.7 0.1 1.0 CG C:PRO243 3.8 0.5 1.0 C D:ALA241 4.1 0.9 1.0 O D:ALA241 4.1 0.4 1.0 CB D:ALA244 4.3 99.2 1.0 CB C:ILE242 4.4 0.1 1.0 N C:PRO243 4.4 99.0 1.0 N D:ALA244 4.6 99.7 1.0 N D:ALA241 4.7 0.2 1.0 CD D:PRO243 4.8 94.5 1.0 C C:ILE242 5.0 0.1 1.0

Iodine binding site 4 out of 4 in the C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of C. Elegans Glutamate-Gated Chloride Channel (Glucl) in Complex with Fab, Ivermectin and Iodide. within 5.0Å range: probe atom residue distance (Å) B Occ E:I351 b:0.4 occ:1.00 CB E:ALA241 2.8 0.5 1.0 CA E:ALA241 3.2 0.6 1.0 CG D:PRO243 3.5 94.6 1.0 CD E:PRO243 3.7 85.5 1.0 C E:ALA241 3.8 0.5 1.0 CD D:PRO243 3.9 94.5 1.0 CG E:PRO243 3.9 85.8 1.0 CB E:PRO243 4.1 84.0 1.0 O E:ALA241 4.1 0.0 1.0 CG2 D:ILE242 4.1 0.5 1.0 N E:ALA244 4.4 92.3 1.0 N E:PRO243 4.5 83.4 1.0 N E:ALA241 4.5 0.9 1.0 N E:ILE242 4.5 0.2 1.0 CB D:PRO243 4.7 92.7 1.0 CB E:ALA244 4.7 92.3 1.0 N D:PRO243 4.8 92.4 1.0 CA E:PRO243 4.8 82.3 1.0

R.E.Hibbs, E.Gouaux. Principles of Activation and Permeation in An Anion-Selective Cys-Loop Receptor. Nature V. 474 54 2011.
ISSN: ISSN 0028-0836
PubMed: 21572436
DOI: 10.1038/NATURE10139