Iodine in PDB 3s18: Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination

The structure of Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination, PDB code: 3s18 was solved by U.Sharma, C.G.Suresh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.30 / 2.20
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	81.917, 81.917, 69.591, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 22.3

The structure of Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Chlorine	(Cl)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Iodine atom in the Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination (pdb code 3s18). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination, PDB code: 3s18:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination within 5.0Å range: probe atom residue distance (Å) B Occ A:I232 b:28.0 occ:0.30 OD1 A:ASP69 2.3 28.3 1.0 O A:HOH262 2.5 25.3 1.0 N A:ALA178 3.5 25.9 1.0 CG A:ASP69 3.5 26.9 1.0 N A:ARG125 3.5 25.4 1.0 N A:ASP69 3.8 23.1 1.0 CA A:PHE177 3.8 25.4 1.0 N A:ARG11 3.8 24.6 1.0 CB A:PHE177 3.9 25.2 1.0 CA A:PHE124 3.9 23.1 1.0 CA A:PHE10 4.0 24.2 1.0 CB A:ARG125 4.1 26.4 1.0 CA A:PHE68 4.1 22.8 1.0 OD2 A:ASP69 4.1 31.2 1.0 C A:PHE177 4.1 25.8 1.0 CB A:PHE124 4.2 23.3 1.0 CB A:PHE10 4.2 23.5 1.0 CB A:PHE68 4.2 22.1 1.0 C A:PHE124 4.3 23.9 1.0 CB A:ALA178 4.3 27.1 1.0 CA A:ARG125 4.4 26.3 1.0 CB A:ARG11 4.4 25.7 1.0 C A:PHE10 4.5 24.5 1.0 C A:PHE68 4.5 22.8 1.0 CA A:ALA178 4.5 27.4 1.0 CB A:ASP69 4.6 25.0 1.0 O A:ALA123 4.6 23.1 1.0 O A:ALA9 4.6 24.7 1.0 CA A:ASP69 4.7 24.1 1.0 CA A:ARG11 4.8 26.0 1.0 O A:ALA176 4.9 25.3 1.0 O A:ASP69 4.9 23.7 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of A Plant Albumin From Cicer Arietinum Showing Hemagglutination within 5.0Å range: probe atom residue distance (Å) B Occ B:I231 b:42.1 occ:0.50 OD1 B:ASP69 2.5 30.5 1.0 O B:HOH278 2.6 27.5 1.0 N B:ALA178 3.4 27.6 1.0 N B:ARG125 3.4 24.2 1.0 CG B:ASP69 3.6 29.4 1.0 CA B:PHE124 3.7 24.0 1.0 N B:ARG11 3.8 25.4 1.0 CA B:PHE177 3.8 26.7 1.0 CB B:PHE177 3.9 26.1 1.0 CB B:ARG125 4.0 24.9 1.0 N B:ASP69 4.0 26.4 1.0 C B:PHE124 4.1 24.1 1.0 C B:PHE177 4.1 27.3 1.0 CA B:PHE10 4.1 25.3 1.0 CB B:PHE124 4.1 24.8 1.0 CB B:ALA178 4.1 27.6 1.0 OD2 B:ASP69 4.2 31.5 1.0 CA B:ARG125 4.3 24.8 1.0 CA B:ALA178 4.3 27.6 1.0 CA B:PHE68 4.4 26.3 1.0 CB B:ARG11 4.4 26.2 1.0 CB B:PHE10 4.4 24.9 1.0 CB B:PHE68 4.4 25.8 1.0 C B:PHE10 4.5 25.6 1.0 O B:ALA123 4.6 23.2 1.0 C B:PHE68 4.7 26.1 1.0 CB B:ASP69 4.7 26.8 1.0 CA B:ARG11 4.8 26.3 1.0 O B:ALA9 4.8 24.9 1.0 O B:ALA178 4.9 26.9 1.0 N B:PHE124 4.9 23.7 1.0 CA B:ASP69 4.9 26.5 1.0 O B:ALA176 5.0 27.7 1.0

U.Sharma, U.V.Katre, C.G.Suresh. Crystal Structure of A Plant Albumin From Cicer Arietinum (Chickpea) Possessing Hemopexin Fold and Hemagglutination Activity Planta 2015.
ISSN: ISSN 0032-0935
PubMed: 25559942
DOI: 10.1007/S00425-014-2236-6