Iodine in PDB 7qdt: Crystal Structure of A Mutant (P393GX) Thyroid Receptor Alpha Ligand Binding Domain Designed to Model Dominant Negative Human Mutations.

The structure of Crystal Structure of A Mutant (P393GX) Thyroid Receptor Alpha Ligand Binding Domain Designed to Model Dominant Negative Human Mutations., PDB code: 7qdt was solved by B.Romartinez-Alonso, L.Fairall, M.Agostini, K.Chatterjee, J.Schwabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.06 / 3.00
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	143.328, 143.328, 88.502, 90, 90, 120
R / Rfree (%)	18.3 / 22.8

The binding sites of Iodine atom in the Crystal Structure of A Mutant (P393GX) Thyroid Receptor Alpha Ligand Binding Domain Designed to Model Dominant Negative Human Mutations. (pdb code 7qdt). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of A Mutant (P393GX) Thyroid Receptor Alpha Ligand Binding Domain Designed to Model Dominant Negative Human Mutations., PDB code: 7qdt:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of A Mutant (P393GX) Thyroid Receptor Alpha Ligand Binding Domain Designed to Model Dominant Negative Human Mutations.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of A Mutant (P393GX) Thyroid Receptor Alpha Ligand Binding Domain Designed to Model Dominant Negative Human Mutations. within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:60.6 occ:1.00 I1 A:T3401 0.0 60.6 1.0 C5 A:T3401 2.1 54.6 1.0 C7 A:T3401 3.1 50.8 1.0 C3 A:T3401 3.1 58.6 1.0 O2 A:T3401 3.2 48.5 1.0 O A:PHE218 3.5 63.9 1.0 C2 A:T3401 3.5 47.0 1.0 C4 A:T3401 3.9 51.6 1.0 CG1 A:ILE221 3.9 50.5 1.0 CB A:ILE222 4.0 47.9 1.0 C12 A:T3401 4.1 47.3 1.0 CA A:ILE222 4.2 46.3 1.0 CG1 A:ILE222 4.2 50.7 1.0 C A:PHE218 4.2 56.4 1.0 CB A:PHE218 4.2 53.1 1.0 CA A:PHE218 4.3 57.0 1.0 N A:ILE222 4.4 45.9 1.0 CD1 A:LEU276 4.4 34.5 1.0 CD1 A:ILE221 4.4 53.7 1.0 C9 A:T3401 4.4 56.9 1.0 C1 A:T3401 4.4 51.5 1.0 C A:ILE221 4.6 51.6 1.0 CD1 A:PHE218 4.6 50.0 1.0 CD1 A:ILE222 4.7 49.3 1.0 CG A:PHE218 4.8 49.2 1.0 C6 A:T3401 4.8 54.2 1.0 O A:ILE221 4.8 47.3 1.0 C11 A:T3401 4.9 56.8 1.0 C10 A:T3401 5.0 48.6 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of A Mutant (P393GX) Thyroid Receptor Alpha Ligand Binding Domain Designed to Model Dominant Negative Human Mutations.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of A Mutant (P393GX) Thyroid Receptor Alpha Ligand Binding Domain Designed to Model Dominant Negative Human Mutations. within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:61.2 occ:1.00 I2 A:T3401 0.0 61.2 1.0 C6 A:T3401 2.1 54.2 1.0 C8 A:T3401 3.1 46.0 1.0 C4 A:T3401 3.1 51.6 1.0 O1 A:T3401 3.1 49.1 1.0 O A:GLY290 3.3 57.1 1.0 C A:GLY290 3.9 47.9 1.0 NH1 A:ARG384 3.9 76.0 1.0 CA A:GLY291 4.0 45.2 1.0 CD1 A:PHE215 4.1 53.8 1.0 CD2 A:PHE218 4.2 49.2 1.0 C A:GLY291 4.2 44.1 1.0 N A:GLY291 4.2 46.3 1.0 CD2 A:LEU292 4.3 51.5 1.0 CB A:PHE218 4.3 53.1 1.0 C10 A:T3401 4.4 48.6 1.0 C2 A:T3401 4.4 47.0 1.0 N A:LEU292 4.4 44.3 1.0 CE1 A:PHE215 4.5 58.9 1.0 CG A:LEU292 4.5 50.2 1.0 CG A:PHE218 4.6 49.2 1.0 O A:GLY291 4.7 50.3 1.0 C12 A:T3401 4.9 47.3 1.0 CA A:GLY290 5.0 46.4 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of A Mutant (P393GX) Thyroid Receptor Alpha Ligand Binding Domain Designed to Model Dominant Negative Human Mutations.


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of A Mutant (P393GX) Thyroid Receptor Alpha Ligand Binding Domain Designed to Model Dominant Negative Human Mutations. within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:77.2 occ:1.00 I3 A:T3401 0.0 77.2 1.0 C9 A:T3401 2.1 56.9 1.0 C11 A:T3401 3.1 56.8 1.0 C7 A:T3401 3.1 50.8 1.0 O2 A:T3401 3.3 48.5 1.0 CD1 A:ILE299 3.9 44.8 1.0 C2 A:T3401 4.1 47.0 1.0 CE A:MET256 4.2 43.5 1.0 CA A:SER260 4.2 36.7 1.0 CD2 A:LEU276 4.2 31.9 1.0 OG A:SER260 4.3 34.3 0.5 C12 A:T3401 4.3 47.3 1.0 CB A:ALA263 4.3 38.3 1.0 C1 A:T3401 4.4 51.5 1.0 C5 A:T3401 4.4 54.6 1.0 O A:MET259 4.5 42.0 1.0 CD1 A:LEU292 4.5 44.9 1.0 N A:SER260 4.5 38.8 1.0 C A:MET259 4.7 39.1 1.0 CB A:SER260 4.8 35.7 1.0 CD2 A:LEU287 4.9 44.9 1.0 C3 A:T3401 4.9 58.6 1.0

B.Romartinez-Alonso, M.Agostini, H.Jones, J.Mclellan, D.E.Sood, N.Tomkinson, F.Marelli, I.Gentile, W.E.Visser, E.Schoenmakers, L.Fairall, M.Privalsky, C.Moran, L.Persani, K.Chatterjee, J.W.R.Schwabe. Structure-Guided Approach to Relieving Transcriptional Repression in Resistance to Thyroid Hormone Alpha. Mol.Cell.Biol. V. 42 36321 2022.
ISSN: ESSN 1098-5549
PubMed: 34871063
DOI: 10.1128/MCB.00363-21