Iodine in PDB 3uvv: Crystal Structure of the Ligand Binding Domains of the Thyroid Receptor:Retinoid X Receptor Complexed with 3,3',5 Triiodo-L- Thyronine and 9-Cis Retinoic Acid

The structure of Crystal Structure of the Ligand Binding Domains of the Thyroid Receptor:Retinoid X Receptor Complexed with 3,3',5 Triiodo-L- Thyronine and 9-Cis Retinoic Acid, PDB code: 3uvv was solved by E.J.Fernandez, B.-D.K.Putcha, E.Wright, J.S.Brunzelle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.55 / 2.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	129.130, 165.320, 85.100, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25

The binding sites of Iodine atom in the Crystal Structure of the Ligand Binding Domains of the Thyroid Receptor:Retinoid X Receptor Complexed with 3,3',5 Triiodo-L- Thyronine and 9-Cis Retinoic Acid (pdb code 3uvv). 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 the Ligand Binding Domains of the Thyroid Receptor:Retinoid X Receptor Complexed with 3,3',5 Triiodo-L- Thyronine and 9-Cis Retinoic Acid, PDB code: 3uvv:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of the Ligand Binding Domains of the Thyroid Receptor:Retinoid X Receptor Complexed with 3,3',5 Triiodo-L- Thyronine and 9-Cis Retinoic Acid


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 the Ligand Binding Domains of the Thyroid Receptor:Retinoid X Receptor Complexed with 3,3',5 Triiodo-L- Thyronine and 9-Cis Retinoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:0.3 occ:0.67 I1 A:T3501 0.0 0.3 0.7 C5 A:T3501 2.1 0.7 0.7 C3 A:T3501 3.1 0.8 0.7 C7 A:T3501 3.1 0.7 0.7 CD1 A:ILE220 3.1 0.6 0.7 CD1 A:ILE219 3.2 0.7 1.0 O2 A:T3501 3.3 0.9 0.7 CB A:ILE220 3.6 0.7 1.0 C2 A:T3501 3.6 93.6 0.7 O A:PHE216 3.6 0.9 1.0 CG1 A:ILE219 3.7 0.5 1.0 CD1 A:LEU274 3.9 0.3 0.7 CG1 A:ILE220 3.9 0.1 0.7 C4 A:T3501 4.0 93.6 0.7 CA A:PHE216 4.0 0.4 1.0 CA A:ILE220 4.0 0.4 1.0 CB A:PHE216 4.1 0.5 1.0 N A:ILE220 4.1 0.2 1.0 C A:PHE216 4.1 0.9 1.0 C12 A:T3501 4.3 89.2 0.7 C1 A:T3501 4.4 0.2 0.7 C9 A:T3501 4.5 0.7 0.7 C A:ILE219 4.7 0.2 1.0 CG A:PHE216 4.7 0.9 1.0 CG2 A:ILE220 4.8 0.3 0.7 CG A:LEU274 4.8 0.1 0.7 C6 A:T3501 4.9 94.0 0.7 CB A:LEU274 4.9 0.8 1.0 CD2 A:PHE216 4.9 0.4 0.7 C11 A:T3501 4.9 1.0 0.7 CD2 A:LEU274 5.0 0.5 0.7

Iodine binding site 2 out of 3 in the Crystal Structure of the Ligand Binding Domains of the Thyroid Receptor:Retinoid X Receptor Complexed with 3,3',5 Triiodo-L- Thyronine and 9-Cis Retinoic Acid


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 the Ligand Binding Domains of the Thyroid Receptor:Retinoid X Receptor Complexed with 3,3',5 Triiodo-L- Thyronine and 9-Cis Retinoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:94.9 occ:0.67 I2 A:T3501 0.0 94.9 0.7 C6 A:T3501 2.1 94.0 0.7 C4 A:T3501 3.0 93.6 0.7 C8 A:T3501 3.1 90.1 0.7 O1 A:T3501 3.2 88.6 0.7 O A:GLY288 3.6 0.8 1.0 CD1 A:PHE216 3.8 0.1 0.7 SD A:MET386 4.0 0.8 1.0 CA A:GLY289 4.3 0.9 1.0 N A:LEU290 4.3 98.8 1.0 CG A:LEU290 4.3 99.5 0.7 C2 A:T3501 4.3 93.6 0.7 C A:GLY289 4.4 0.8 1.0 C10 A:T3501 4.4 88.1 0.7 CD2 A:PHE213 4.4 0.7 1.0 CB A:PHE216 4.5 0.5 1.0 C A:GLY288 4.5 0.0 1.0 CE2 A:PHE213 4.6 0.2 1.0 CG A:PHE216 4.6 0.9 1.0 CE1 A:PHE216 4.6 0.6 0.7 CE A:MET386 4.6 0.8 1.0 CD2 A:LEU290 4.7 99.8 0.7 N A:GLY289 4.8 0.6 1.0 C12 A:T3501 4.9 89.2 0.7 O A:GLY289 5.0 0.3 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of the Ligand Binding Domains of the Thyroid Receptor:Retinoid X Receptor Complexed with 3,3',5 Triiodo-L- Thyronine and 9-Cis Retinoic Acid


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 the Ligand Binding Domains of the Thyroid Receptor:Retinoid X Receptor Complexed with 3,3',5 Triiodo-L- Thyronine and 9-Cis Retinoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I501 b:0.3 occ:0.67 I3 A:T3501 0.0 0.3 0.7 C9 A:T3501 2.1 0.7 0.7 C11 A:T3501 3.1 1.0 0.7 C7 A:T3501 3.1 0.7 0.7 O2 A:T3501 3.2 0.9 0.7 CD1 A:ILE297 3.6 0.9 1.0 CE A:MET254 3.8 0.7 1.0 C2 A:T3501 3.8 93.6 0.7 C12 A:T3501 3.9 89.2 0.7 CB A:ALA261 4.0 97.7 1.0 CD1 A:LEU290 4.1 98.7 0.7 CA A:SER258 4.3 91.2 1.0 CD2 A:LEU274 4.3 0.5 0.7 C1 A:T3501 4.4 0.2 0.7 C5 A:T3501 4.4 0.7 0.7 O A:MET257 4.5 95.8 1.0 N A:SER258 4.6 92.2 1.0 OG A:SER258 4.6 0.3 1.0 CD2 A:LEU285 4.6 0.8 0.7 C A:MET257 4.7 96.4 1.0 CG1 A:ILE297 4.7 98.2 1.0 CG2 A:ILE297 4.8 98.9 1.0 SD A:MET254 4.8 0.2 1.0 C3 A:T3501 4.9 0.8 0.7 C4 A:T3501 5.0 93.6 0.7 CB A:SER258 5.0 94.9 1.0 CD1 A:LEU285 5.0 0.6 0.7

B.D.Putcha, E.Wright, J.S.Brunzelle, E.J.Fernandez. Structural Basis For Negative Cooperativity Within Agonist-Bound Tr:Rxr Heterodimers. Proc.Natl.Acad.Sci.Usa V. 109 6084 2012.
ISSN: ISSN 0027-8424
PubMed: 22474364
DOI: 10.1073/PNAS.1119852109