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

Protein crystallography data

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

Other elements in 3s18:

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

Iodine Binding Sites:

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 3s18

Go back to Iodine Binding Sites List in 3s18
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 3s18

Go back to Iodine Binding Sites List in 3s18
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

Reference:

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
Page generated: Sun Dec 13 19:30:04 2020

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