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

Protein crystallography data

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

Other elements in 2yn3:

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

Iodine Binding Sites:

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 2yn3

Go back to Iodine Binding Sites List in 2yn3
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 2yn3

Go back to Iodine Binding Sites List in 2yn3
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

Reference:

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
Page generated: Sun Aug 11 14:39:00 2024

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