Iodine in PDB 1nq1: 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: 1nq1 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)	30.00 / 2.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.839, 68.839, 130.530, 90.00, 90.00, 120.00
R / Rfree (%)	23.9 / 28.7

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:

Arsenic

(As)

2 atoms

The binding sites of Iodine atom in the Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd (pdb code 1nq1). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Tr Receptor Mutations Conferring Hormone Resistance and Reduced Corepressor Release Exhibit Decreased Stability in the Nterminal Lbd, PDB code: 1nq1:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 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 Iodine with other atoms in the I 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:I500 b:0.9 occ:1.00 I1 A:4HY500 0.0 0.9 1.0 C5 A:4HY500 2.1 0.4 1.0 C7 A:4HY500 3.0 0.4 1.0 C3 A:4HY500 3.1 0.4 1.0 O2 A:4HY500 3.2 0.1 1.0 CG1 A:ILE276 3.4 94.7 1.0 C2 A:4HY500 3.7 0.6 1.0 CD1 A:ILE276 3.9 95.0 1.0 CD1 A:LEU330 4.0 98.6 1.0 O A:PHE272 4.0 0.9 1.0 C4 A:4HY500 4.1 0.9 1.0 CA A:ILE276 4.2 96.6 1.0 CG1 A:ILE275 4.2 97.6 1.0 CB A:ILE276 4.3 96.4 1.0 C A:PHE272 4.3 0.8 1.0 O A:ILE275 4.3 97.6 1.0 C12 A:4HY500 4.3 0.9 1.0 CA A:PHE272 4.4 0.4 1.0 C9 A:4HY500 4.4 0.7 1.0 CB A:PHE272 4.4 0.6 1.0 N A:ILE276 4.4 97.4 1.0 C A:ILE275 4.5 98.1 1.0 C1 A:4HY500 4.5 0.8 1.0 CB A:LEU330 4.6 98.8 1.0 CD1 A:ILE275 4.6 95.0 1.0 CG A:LEU330 4.9 98.3 1.0 C11 A:4HY500 5.0 0.3 1.0

Iodine binding site 2 out of 3 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 Iodine with other atoms in the I 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:I500 b:0.5 occ:1.00 I2 A:4HY500 0.0 0.5 1.0 C6 A:4HY500 2.0 0.6 1.0 C4 A:4HY500 3.0 0.9 1.0 C8 A:4HY500 3.0 0.8 1.0 O1 A:4HY500 3.2 0.0 1.0 O A:GLY344 3.5 87.2 1.0 SD A:MET442 4.0 98.6 1.0 CD1 A:PHE272 4.1 98.2 1.0 CD1 A:PHE269 4.1 0.4 1.0 CE1 A:PHE269 4.2 0.3 1.0 CG A:LEU346 4.3 80.1 1.0 C2 A:4HY500 4.3 0.6 1.0 CB A:PHE272 4.3 0.6 1.0 C10 A:4HY500 4.4 0.2 1.0 CD2 A:LEU346 4.5 79.2 1.0 C A:GLY344 4.5 88.1 1.0 C A:GLY345 4.6 88.9 1.0 CG A:PHE272 4.6 97.8 1.0 CA A:GLY345 4.7 88.8 1.0 O A:GLY345 4.7 89.7 1.0 C12 A:4HY500 4.8 0.9 1.0 CG2 A:THR273 4.9 0.7 1.0 N A:LEU346 4.9 86.5 1.0 CD1 A:LEU346 4.9 78.8 1.0 CE A:MET442 5.0 97.5 1.0

Iodine binding site 3 out of 3 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 Iodine with other atoms in the I 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:I500 b:0.3 occ:1.00 I3 A:4HY500 0.0 0.3 1.0 C9 A:4HY500 2.1 0.7 1.0 C7 A:4HY500 3.1 0.4 1.0 C11 A:4HY500 3.1 0.3 1.0 O2 A:4HY500 3.2 0.1 1.0 CD1 A:ILE353 3.5 76.2 1.0 C2 A:4HY500 3.9 0.6 1.0 CE A:MET310 4.1 84.1 1.0 CB A:ALA317 4.1 77.1 1.0 C12 A:4HY500 4.2 0.9 1.0 CD1 A:LEU346 4.2 78.8 1.0 C1 A:4HY500 4.4 0.8 1.0 CD2 A:LEU341 4.4 81.6 1.0 C5 A:4HY500 4.4 0.4 1.0 CD2 A:LEU330 4.5 97.5 1.0 CA A:SER314 4.6 73.3 1.0 O A:MET313 4.7 75.0 1.0 CG1 A:ILE353 4.8 73.7 1.0 CD1 A:LEU341 4.8 79.8 1.0 SD A:MET310 4.9 86.5 1.0 C4 A:4HY500 4.9 0.9 1.0 C3 A:4HY500 4.9 0.4 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