Iodine in PDB 2yn3: Structural Insight Into the Giant Calcium-Binding Adhesin Siie: Implications For the Adhesion of Salmonella Enterica to Polarized Epithelial Cells

The structure of Structural Insight Into the Giant Calcium-Binding Adhesin Siie: Implications For the Adhesion of Salmonella Enterica to Polarized Epithelial Cells, PDB code: 2yn3 was solved by M.H.Griessl, B.Schmid, K.Kassler, C.Braunsmann, R.Ritter, B.Barlag, K.U.Sturm, C.Danzer, C.Wagner, T.E.Schaeffer, H.Sticht, M.Hensel, Y.A.Muller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.32 / 2.12
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.480, 153.309, 96.300, 90.00, 103.88, 90.00
R / Rfree (%)	21.024 / 25.971

The structure of Structural Insight Into the Giant Calcium-Binding Adhesin Siie: Implications For the Adhesion of Salmonella Enterica to Polarized Epithelial Cells also contains other interesting chemical elements:

Calcium

(Ca)

13 atoms

The binding sites of Iodine atom in the Structural Insight Into the Giant Calcium-Binding Adhesin Siie: Implications For the Adhesion of Salmonella Enterica to Polarized Epithelial Cells (pdb code 2yn3). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Structural Insight Into the Giant Calcium-Binding Adhesin Siie: Implications For the Adhesion of Salmonella Enterica to Polarized Epithelial Cells, PDB code: 2yn3:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Structural Insight Into the Giant Calcium-Binding Adhesin Siie: Implications For the Adhesion of Salmonella Enterica to Polarized Epithelial Cells


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structural Insight Into the Giant Calcium-Binding Adhesin Siie: Implications For the Adhesion of Salmonella Enterica to Polarized Epithelial Cells within 5.0Å range: probe atom residue distance (Å) B Occ A:I6360 b:47.8 occ:0.70 O A:HOH2161 3.1 44.1 1.0 N C:GLU5102 3.7 21.2 1.0 CA C:GLU5102 3.8 23.6 1.0 CD A:ARG5344 3.8 34.9 1.0 CB A:ASP5296 3.9 38.9 1.0 C C:ALA5101 4.1 22.9 1.0 O A:HOH2183 4.1 31.4 1.0 CA A:ASP5296 4.3 38.4 1.0 O C:ALA5101 4.3 25.8 1.0 CB C:GLU5102 4.3 24.4 1.0 CB C:ASN5081 4.6 37.8 1.0 O C:HOH2033 4.6 25.5 1.0 CB A:ARG5344 4.7 29.2 1.0 O A:ASP5296 4.7 36.0 1.0 CA C:ALA5101 4.8 21.2 1.0 CG C:GLU5102 4.9 29.0 1.0 CG A:ARG5344 4.9 30.6 1.0 NH1 A:ARG5344 4.9 38.1 1.0 CD1 A:ILE5180 4.9 21.1 1.0 NE A:ARG5344 4.9 40.6 1.0 OD1 C:ASN5081 4.9 43.4 1.0

Iodine binding site 2 out of 2 in the Structural Insight Into the Giant Calcium-Binding Adhesin Siie: Implications For the Adhesion of Salmonella Enterica to Polarized Epithelial Cells


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structural Insight Into the Giant Calcium-Binding Adhesin Siie: Implications For the Adhesion of Salmonella Enterica to Polarized Epithelial Cells within 5.0Å range: probe atom residue distance (Å) B Occ A:I6361 b:32.2 occ:0.70 O A:HOH2022 3.4 30.1 1.0 NH1 C:ARG5344 3.8 21.9 1.0 CA A:GLU5102 3.9 21.8 1.0 CD C:ARG5344 3.9 23.6 1.0 OD1 A:ASN5081 4.0 34.9 1.0 N A:GLU5102 4.0 21.0 1.0 CB C:ASP5296 4.0 28.6 1.0 C A:ALA5101 4.3 21.6 1.0 CB A:GLU5102 4.3 24.8 1.0 O A:ALA5101 4.6 20.3 1.0 CD1 C:ILE5180 4.6 20.7 1.0 CB A:ASN5081 4.7 26.1 1.0 CG A:ASN5081 4.7 30.4 1.0 CZ C:ARG5344 4.8 22.4 1.0 CA C:ASP5296 4.8 26.4 1.0 CB C:ARG5344 4.8 24.2 1.0 NE C:ARG5344 4.8 26.4 1.0 O A:HOH2024 4.8 24.6 1.0 CG A:GLU5102 4.9 26.8 1.0 CG C:ARG5344 5.0 24.1 1.0 CA A:ALA5101 5.0 20.1 1.0

M.H.Griessl, B.Schmid, K.Kassler, C.Braunsmann, R.Ritter, B.Barlag, Y.Stierhof, K.U.Sturm, C.Danzer, C.Wagner, T.E.Schaffer, H.Sticht, M.Hensel, Y.A.Muller. Structural Insight Into the Giant Ca(2+)-Binding Adhesin Siie: Implications For the Adhesion of Salmonella Enterica to Polarized Epithelial Cells. Structure V. 21 741 2013.
ISSN: ISSN 0969-2126
PubMed: 23562396
DOI: 10.1016/J.STR.2013.02.020