Iodine in PDB 1y0x: Thyroxine-Thyroid Hormone Receptor Interactions

The structure of Thyroxine-Thyroid Hormone Receptor Interactions, PDB code: 1y0x was solved by B.Sandler, P.Webb, J.W.Apriletti, B.R.Huber, M.Togashi, S.T.Cunha Lima, S.Juric, S.Nilsson, R.Wagner, R.J.Fletterick, J.D.Baxter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.76 / 3.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.790, 68.790, 130.400, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 26.6

The structure of Thyroxine-Thyroid Hormone Receptor Interactions also contains other interesting chemical elements:

Arsenic

(As)

6 atoms

The binding sites of Iodine atom in the Thyroxine-Thyroid Hormone Receptor Interactions (pdb code 1y0x). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Thyroxine-Thyroid Hormone Receptor Interactions, PDB code: 1y0x:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:I500 b:51.2 occ:1.00 I3 X:T44500 0.0 51.2 1.0 C3 X:T44500 2.1 51.1 1.0 C2 X:T44500 3.0 51.9 1.0 C4 X:T44500 3.1 52.8 1.0 O4 X:T44500 3.2 51.6 1.0 CD1 X:ILE353 3.4 32.7 1.0 CE X:MET310 3.7 33.9 1.0 C1' X:T44500 3.8 53.1 1.0 OG X:SER314 4.0 45.5 1.0 CD1 X:LEU346 4.1 52.9 1.0 C6' X:T44500 4.1 54.9 1.0 CB X:ALA317 4.2 44.8 1.0 C1 X:T44500 4.4 50.3 1.0 CA X:SER314 4.4 38.0 1.0 C5 X:T44500 4.4 54.9 1.0 SD X:MET310 4.5 44.3 1.0 CD2 X:LEU330 4.6 57.7 1.0 O X:MET313 4.7 40.2 1.0 CD2 X:LEU341 4.8 48.0 1.0 N X:SER314 4.8 38.7 1.0 CB X:SER314 4.8 39.4 1.0 C X:MET313 4.8 39.0 1.0 C2' X:T44500 4.8 54.9 1.0 CG1 X:ILE353 4.9 33.6 1.0 C6 X:T44500 4.9 54.3 1.0

Iodine binding site 2 out of 4 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:I500 b:57.5 occ:1.00 I3' X:T44500 0.0 57.5 1.0 C3' X:T44500 2.0 53.9 1.0 O4' X:T44500 2.8 45.9 1.0 C4' X:T44500 2.9 51.0 1.0 C2' X:T44500 3.0 54.9 1.0 CD2 X:LEU346 4.0 45.6 1.0 O X:GLY344 4.0 46.1 1.0 CD1 X:PHE269 4.2 54.9 1.0 SD X:MET442 4.2 65.3 1.0 CG X:LEU346 4.2 47.6 1.0 C1' X:T44500 4.2 53.1 1.0 C5' X:T44500 4.3 54.0 1.0 CE1 X:PHE269 4.3 53.5 1.0 CA X:GLY345 4.4 46.9 1.0 CD1 X:PHE272 4.4 47.2 1.0 C X:GLY345 4.5 47.6 1.0 CB X:PHE272 4.5 55.9 1.0 N X:LEU346 4.6 45.6 1.0 CE X:MET442 4.6 57.7 1.0 C X:GLY344 4.7 46.7 1.0 C6' X:T44500 4.8 54.9 1.0 N X:GLY345 4.9 47.0 1.0 CG X:PHE272 4.9 48.8 1.0

Iodine binding site 3 out of 4 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:I500 b:53.8 occ:1.00 I5 X:T44500 0.0 53.8 1.0 C5 X:T44500 2.1 54.9 1.0 C6 X:T44500 3.0 54.3 1.0 C4 X:T44500 3.1 52.8 1.0 O X:PHE272 3.2 56.8 1.0 O4 X:T44500 3.4 51.6 1.0 C1' X:T44500 3.7 53.1 1.0 CG1 X:ILE276 3.7 55.4 1.0 CG1 X:ILE275 3.7 61.2 1.0 C X:PHE272 4.0 57.4 1.0 CB X:ILE276 4.0 54.8 1.0 CB X:PHE272 4.0 55.9 1.0 CA X:PHE272 4.0 56.8 1.0 C2' X:T44500 4.1 54.9 1.0 N X:ILE276 4.1 57.7 1.0 CA X:ILE276 4.1 54.7 1.0 C6' X:T44500 4.2 54.9 1.0 CD1 X:LEU330 4.3 57.2 1.0 C1 X:T44500 4.4 50.3 1.0 CD1 X:ILE275 4.4 61.5 1.0 C3 X:T44500 4.5 51.1 1.0 C X:ILE275 4.5 58.6 1.0 CD1 X:ILE276 4.5 55.3 1.0 CD2 X:PHE272 4.7 47.1 1.0 O X:ILE275 4.7 58.7 1.0 CG X:PHE272 4.8 48.8 1.0 CB X:LEU330 4.9 50.3 1.0 C2 X:T44500 4.9 51.9 1.0 CB X:ILE275 4.9 61.7 1.0 C3' X:T44500 5.0 53.9 1.0

Iodine binding site 4 out of 4 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:I500 b:72.4 occ:1.00 I5' X:T44500 0.0 72.4 1.0 C5' X:T44500 2.1 54.0 1.0 C6' X:T44500 2.9 54.9 1.0 CE X:MET313 3.1 44.5 1.0 C4' X:T44500 3.2 51.0 1.0 CE1 X:HIS435 3.2 44.0 1.0 NE2 X:HIS435 3.2 41.8 1.0 CZ X:PHE459 3.5 40.6 1.0 CE1 X:PHE459 3.6 42.9 1.0 CD1 X:ILE276 3.7 55.3 1.0 O4' X:T44500 3.7 45.9 1.0 SD X:MET310 3.9 44.3 1.0 CE1 X:PHE455 4.0 63.5 1.0 ND1 X:HIS435 4.2 43.7 1.0 C1' X:T44500 4.3 53.1 1.0 CE X:MET310 4.3 33.9 1.0 CD2 X:HIS435 4.3 39.9 1.0 C3' X:T44500 4.4 53.9 1.0 CD1 X:PHE459 4.5 46.7 1.0 CE2 X:PHE459 4.5 42.0 1.0 CG1 X:ILE276 4.6 55.4 1.0 CD1 X:PHE455 4.7 61.0 1.0 CG X:MET310 4.7 30.4 1.0 CZ X:PHE455 4.7 66.7 1.0 CG X:HIS435 4.8 35.5 1.0 SD X:MET313 4.8 48.2 1.0 C2' X:T44500 4.8 54.9 1.0 CB X:MET310 4.9 33.8 1.0

B.Sandler, P.Webb, J.W.Apriletti, B.R.Huber, M.Togashi, S.T.Cunha Lima, S.Juric, S.Nilsson, R.Wagner, R.J.Fletterick, J.D.Baxter. Thyroxine-Thyroid Hormone Receptor Interactions. J.Biol.Chem. V. 279 55801 2004.
ISSN: ISSN 0021-9258
PubMed: 15466465
DOI: 10.1074/JBC.M410124200