Arsenic 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:

Iodine

(I)

4 atoms

The binding sites of Arsenic atom in the Thyroxine-Thyroid Hormone Receptor Interactions (pdb code 1y0x). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 6 binding sites of Arsenic where determined in the Thyroxine-Thyroid Hormone Receptor Interactions, PDB code: 1y0x:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6;

Arsenic binding site 1 out of 6 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:As501 b:82.8 occ:0.54 SG X:CYS294 2.6 54.3 1.0 CB X:CYS294 3.2 53.3 1.0 CA X:CYS294 3.8 54.4 1.0 O X:LYS288 4.6 48.4 1.0 O X:CYS294 4.7 54.2 1.0 NE2 X:GLN301 4.7 49.6 1.0 N X:CYS294 4.8 55.1 1.0 C X:CYS294 4.8 54.1 1.0

Arsenic binding site 2 out of 6 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:As502 b:97.8 occ:0.36 SG X:CYS298 1.6 85.5 1.0 CB X:CYS298 3.3 66.2 1.0 N X:GLU299 3.5 57.5 1.0 C X:CYS298 3.6 61.7 1.0 CA X:CYS298 4.0 65.5 1.0 O X:CYS298 4.0 62.8 1.0 CA X:GLU299 4.2 57.5 1.0 CD1 X:ILE302 4.3 60.8 1.0 CG1 X:ILE302 4.3 54.0 1.0 CD X:GLU299 4.3 78.5 1.0 CG X:GLU299 4.4 67.7 1.0 OE2 X:GLU299 4.5 79.3 1.0 OE1 X:GLU299 4.7 80.1 1.0 CB X:GLU299 4.9 59.4 1.0 N X:CYS298 5.0 64.0 1.0

Arsenic binding site 3 out of 6 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:As503 b:0.4 occ:0.28 CB X:CYS298 3.0 66.2 1.0 CA X:CYS298 3.7 65.5 1.0 OE1 X:GLN301 3.7 57.6 1.0 SG X:CYS298 3.9 85.5 1.0 N X:CYS298 4.5 64.0 1.0 CD X:GLN301 4.6 50.1 1.0 NE2 X:GLN301 4.9 49.6 1.0

Arsenic binding site 4 out of 6 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:As504 b:65.9 occ:0.45 SG X:CYS388 2.7 64.1 1.0 NH2 X:ARG391 2.8 88.0 1.0 CZ X:ARG391 3.1 87.0 1.0 CB X:CYS388 3.3 60.4 1.0 NE X:ARG391 3.4 81.2 1.0 NH1 X:ARG391 3.9 93.0 1.0 CA X:CYS388 4.1 59.3 1.0 CB X:ARG391 4.3 57.4 1.0 CD X:ARG391 4.4 74.8 1.0 CG X:ARG391 4.9 64.0 1.0 N X:CYS388 5.0 58.5 1.0

Arsenic binding site 5 out of 6 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:As505 b:51.0 occ:0.49 SG X:CYS434 2.2 53.6 1.0 CB X:CYS434 3.6 33.0 1.0 CA X:CYS434 3.8 37.8 1.0 O X:CYS434 3.9 38.4 1.0 CB X:SER437 4.2 40.7 1.0 C X:CYS434 4.3 37.3 1.0 OG X:SER437 4.3 40.4 1.0 CG1 X:VAL348 4.8 40.1 1.0

Arsenic binding site 6 out of 6 in the Thyroxine-Thyroid Hormone Receptor Interactions


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Thyroxine-Thyroid Hormone Receptor Interactions within 5.0Å range: probe atom residue distance (Å) B Occ X:As506 b:61.7 occ:0.38 SG X:CYS434 4.3 53.6 1.0 CB X:CYS434 4.5 33.0 1.0 CB X:MET430 4.9 39.7 1.0 O X:MET430 5.0 35.0 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