Arsenic in PDB 1xzx: Thyroxine-Thyroid Hormone Receptor Interactions

The structure of Thyroxine-Thyroid Hormone Receptor Interactions, PDB code: 1xzx 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)	19.84 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.764, 68.764, 130.943, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 24.4

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

Iodine

(I)

3 atoms

The binding sites of Arsenic atom in the Thyroxine-Thyroid Hormone Receptor Interactions (pdb code 1xzx). 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: 1xzx:
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:53.8 occ:0.54 SG X:CYS294 2.4 53.5 1.0 CB X:CYS294 3.1 49.3 1.0 CA X:CYS294 3.8 50.2 1.0 O X:LYS288 4.3 44.6 1.0 N X:CYS294 4.7 49.8 1.0 NE2 X:GLN301 4.9 37.2 1.0 CA X:LYS288 4.9 44.1 1.0 C X:CYS294 4.9 49.2 1.0 O X:CYS294 4.9 47.7 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:85.6 occ:0.36 SG X:CYS298 2.1 69.2 1.0 CB X:CYS298 3.5 57.6 1.0 N X:GLU299 3.7 52.5 1.0 OE2 X:GLU299 3.7 68.7 1.0 CD X:GLU299 3.8 64.8 1.0 CG X:GLU299 3.8 58.8 1.0 C X:CYS298 4.0 54.8 1.0 CA X:GLU299 4.1 52.4 1.0 CA X:CYS298 4.4 57.3 1.0 O X:CYS298 4.4 56.7 1.0 OE1 X:GLU299 4.5 67.1 1.0 CB X:GLU299 4.6 53.0 1.0 CD1 X:ILE302 4.6 50.9 1.0 CG1 X:ILE302 4.8 47.0 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:84.1 occ:0.28 CB X:CYS298 3.3 57.6 1.0 OE1 X:GLN301 3.7 46.2 1.0 CA X:CYS298 4.1 57.3 1.0 SG X:CYS298 4.2 69.2 1.0 N X:CYS298 4.8 55.3 1.0 CD X:GLN301 4.8 41.7 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:66.9 occ:0.45 SG X:CYS388 2.2 59.6 1.0 CB X:CYS388 3.0 54.2 1.0 NH2 X:ARG391 3.3 87.3 1.0 CZ X:ARG391 3.8 82.1 1.0 NE X:ARG391 3.8 77.1 1.0 O X:HOH33 3.9 51.4 1.0 CA X:CYS388 4.0 54.1 1.0 CB X:ARG391 4.5 53.1 1.0 NH1 X:ARG391 4.7 82.8 1.0 CD X:PRO297 4.7 53.9 1.0 N X:CYS388 4.8 54.4 1.0 CD X:ARG391 4.8 69.7 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:39.7 occ:0.49 SG X:CYS434 2.6 54.9 1.0 CB X:CYS434 3.7 38.2 1.0 CA X:CYS434 3.8 36.2 1.0 O X:CYS434 3.9 35.2 1.0 C X:CYS434 4.2 36.1 1.0 OG X:SER437 4.2 43.9 1.0 AS X:CAC506 4.4 56.7 0.4 CB X:SER437 4.4 39.5 1.0 CG1 X:VAL348 4.8 31.7 1.0 N X:CYS434 5.0 32.9 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:56.7 occ:0.38 SG X:CYS434 2.7 54.9 1.0 CB X:CYS434 3.6 38.2 1.0 AS X:CAC505 4.4 39.7 0.5 CG1 X:VAL348 4.5 31.7 1.0 CG2 X:VAL348 4.7 33.0 1.0 O X:MET430 4.9 28.5 1.0 CB X:ALA352 4.9 31.1 1.0 CA X:CYS434 5.0 36.2 1.0 O X:VAL348 5.0 32.8 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