Arsenic in PDB 1nq0: Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd

The structure of Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd, PDB code: 1nq0 was solved by B.R.Huber, M.Desclozeaux, B.L.West, S.T.Cunha-Lima, H.T.Nguyen, J.D.Baxter, H.A.Ingraham, R.J.Fletterick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.00 / 2.40
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.820, 68.820, 131.070, 90.00, 90.00, 120.00
R / Rfree (%)	21.8 / 25.8

The structure of Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd also contains other interesting chemical elements:

Iodine

(I)

3 atoms

The binding sites of Arsenic atom in the Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd (pdb code 1nq0). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 6 binding sites of Arsenic where determined in the Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd, PDB code: 1nq0:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5; 6;

Arsenic binding site 1 out of 6 in the Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd within 5.0Å range: probe atom residue distance (Å) B Occ A:As600 b:71.4 occ:0.54 SG A:CYS294 2.7 51.7 1.0 O A:HOH766 2.7 82.8 1.0 O A:HOH776 3.8 73.3 1.0 CB A:CYS294 3.8 51.9 1.0 O A:LYS288 4.2 49.9 1.0 CA A:CYS294 4.4 53.5 1.0 CG A:LYS288 4.7 52.8 1.0 CA A:LYS288 4.7 50.4 1.0 CB A:LYS288 4.8 51.5 1.0 C A:LYS288 4.9 49.5 1.0 AS A:ARS604 5.0 0.7 0.5

Arsenic binding site 2 out of 6 in the Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd within 5.0Å range: probe atom residue distance (Å) B Occ A:As601 b:49.9 occ:0.64 SG A:CYS434 2.6 54.9 1.0 CB A:CYS434 3.8 41.9 1.0 O A:CYS434 3.8 36.8 1.0 CA A:CYS434 3.9 38.1 1.0 CB A:SER437 4.2 42.5 1.0 OG A:SER437 4.3 43.8 1.0 C A:CYS434 4.3 37.7 1.0 CG1 A:VAL348 4.5 34.0 1.0 O A:HOH724 4.6 51.4 1.0 AS A:ARS602 4.6 71.4 0.6

Arsenic binding site 3 out of 6 in the Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd within 5.0Å range: probe atom residue distance (Å) B Occ A:As602 b:71.4 occ:0.57 SG A:CYS434 2.7 54.9 1.0 CB A:CYS434 3.5 41.9 1.0 CG1 A:VAL348 4.2 34.0 1.0 CG2 A:VAL348 4.6 32.7 1.0 AS A:ARS601 4.6 49.9 0.6 CB A:ALA352 4.7 34.3 1.0 O A:VAL348 4.8 36.5 1.0 O A:MET430 4.9 36.8 1.0 CA A:CYS434 4.9 38.1 1.0

Arsenic binding site 4 out of 6 in the Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd within 5.0Å range: probe atom residue distance (Å) B Occ A:As603 b:0.1 occ:0.66 CB A:CYS298 2.8 67.1 1.0 OE2 A:GLU299 3.5 69.1 1.0 CD1 A:ILE302 3.7 52.9 1.0 C A:CYS298 3.7 62.0 1.0 CA A:CYS298 3.9 64.2 1.0 N A:GLU299 4.0 59.9 1.0 SG A:CYS298 4.0 77.4 1.0 O A:CYS298 4.0 59.9 1.0 CD A:GLU299 4.3 68.4 1.0 CA A:GLU299 4.6 59.8 1.0 CG1 A:ILE302 4.7 51.9 1.0 CG A:GLU299 4.8 66.2 1.0

Arsenic binding site 5 out of 6 in the Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd within 5.0Å range: probe atom residue distance (Å) B Occ A:As604 b:0.7 occ:0.50 O A:HOH765 2.4 72.2 1.0 O A:HOH776 3.1 73.3 1.0 O A:HOH766 3.3 82.8 1.0 NE2 A:GLN301 4.9 63.7 1.0 AS A:ARS600 5.0 71.4 0.5

Arsenic binding site 6 out of 6 in the Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 6 of Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd within 5.0Å range: probe atom residue distance (Å) B Occ A:As605 b:82.9 occ:0.61 NH2 A:ARG391 2.5 80.8 1.0 SG A:CYS388 2.7 67.8 1.0 CB A:CYS388 3.1 66.2 1.0 CZ A:ARG391 3.1 80.3 1.0 NE A:ARG391 3.2 78.3 1.0 O A:HOH723 4.0 58.4 1.0 CA A:CYS388 4.1 65.2 1.0 NH1 A:ARG391 4.1 81.5 1.0 CD A:ARG391 4.5 74.1 1.0 CB A:ARG391 4.6 64.4 1.0 CG A:ARG391 4.8 69.2 1.0

B.R.Huber, M.Desclozeaux, B.L.West, S.T.Cunha-Lima, H.T.Nguyen, J.D.Baxter, H.A.Ingraham, R.J.Fletterick. Thyroid Hormone Receptor-Beta Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the N-Terminal Ligand-Binding Domain Mol.Endocrinol. V. 17 107 2003.
ISSN: ISSN 0888-8809
PubMed: 12511610
DOI: 10.1210/ME.2002-0097