Iodine in PDB 9dwy: Cryo-Em Structure of Human MCT8 in Complex with Thyroid Hormone T3

The binding sites of Iodine atom in the Cryo-Em Structure of Human MCT8 in Complex with Thyroid Hormone T3 (pdb code 9dwy). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Cryo-Em Structure of Human MCT8 in Complex with Thyroid Hormone T3, PDB code: 9dwy:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Cryo-Em Structure of Human MCT8 in Complex with Thyroid Hormone T3


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Cryo-Em Structure of Human MCT8 in Complex with Thyroid Hormone T3 within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:157.7 occ:1.00 I1 A:T3601 0.0 157.7 1.0 C5 A:T3601 2.1 84.8 1.0 C7 A:T3601 3.0 80.1 1.0 C3 A:T3601 3.0 83.8 1.0 O2 A:T3601 3.2 77.2 1.0 CE1 A:PHE213 3.4 34.2 1.0 CE1 A:PHE155 3.5 43.3 1.0 CZ A:PHE115 3.5 44.1 1.0 CZ A:PHE155 3.6 45.2 1.0 C2 A:T3601 3.6 73.7 1.0 CZ A:PHE213 3.7 33.8 1.0 CD2 A:LEU452 4.0 32.2 1.0 C12 A:T3601 4.1 77.1 1.0 CD1 A:PHE213 4.1 42.2 1.0 CE1 A:PHE115 4.2 44.7 1.0 CD1 A:PHE155 4.3 42.1 1.0 C9 A:T3601 4.3 86.3 1.0 C4 A:T3601 4.3 76.7 1.0 C1 A:T3601 4.3 78.3 1.0 CE2 A:PHE115 4.4 39.9 1.0 CE2 A:PHE155 4.5 42.4 1.0 CG A:LEU452 4.5 25.0 1.0 CE2 A:PHE213 4.6 38.0 1.0 CG2 A:ILE154 4.8 35.5 1.0 C11 A:T3601 4.9 83.6 1.0 CG A:PHE213 5.0 37.2 1.0

Iodine binding site 2 out of 3 in the Cryo-Em Structure of Human MCT8 in Complex with Thyroid Hormone T3


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Cryo-Em Structure of Human MCT8 in Complex with Thyroid Hormone T3 within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:99.2 occ:1.00 I2 A:T3601 0.0 99.2 1.0 C6 A:T3601 2.1 81.1 1.0 C4 A:T3601 3.0 76.7 1.0 C8 A:T3601 3.0 84.8 1.0 O1 A:T3601 3.2 84.0 1.0 CD1 A:LEU452 3.8 40.1 1.0 CB A:MET431 3.8 44.3 1.0 CD2 A:LEU451 3.8 37.8 1.0 CD1 A:LEU217 3.9 32.2 1.0 N A:ALA432 4.0 44.3 1.0 C A:MET431 4.1 43.9 1.0 CG2 A:ILE448 4.1 47.8 1.0 CA A:ALA432 4.3 45.0 1.0 O A:MET431 4.3 35.2 1.0 C2 A:T3601 4.3 73.7 1.0 C10 A:T3601 4.3 82.2 1.0 CE A:MET431 4.4 45.9 1.0 CG1 A:ILE448 4.5 43.3 1.0 CA A:MET431 4.6 43.0 1.0 CB A:ALA432 4.6 43.4 1.0 CB A:ILE448 4.7 45.6 1.0 CG A:MET431 4.8 49.0 1.0 CG A:LEU451 4.9 37.6 1.0 C12 A:T3601 4.9 77.1 1.0 CD1 A:ILE448 4.9 37.9 1.0 CA A:ILE448 5.0 39.0 1.0

Iodine binding site 3 out of 3 in the Cryo-Em Structure of Human MCT8 in Complex with Thyroid Hormone T3


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Cryo-Em Structure of Human MCT8 in Complex with Thyroid Hormone T3 within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:130.4 occ:1.00 I3 A:T3601 0.0 130.4 1.0 C9 A:T3601 2.1 86.3 1.0 C7 A:T3601 3.0 80.1 1.0 C11 A:T3601 3.0 83.6 1.0 O2 A:T3601 3.1 77.2 1.0 CE2 A:PHE427 3.4 57.2 1.0 C2 A:T3601 3.7 73.7 1.0 CD1 A:ILE428 3.7 58.3 1.0 C12 A:T3601 3.9 77.1 1.0 CZ A:PHE427 3.9 56.4 1.0 CD2 A:PHE427 4.0 62.7 1.0 CE A:MET455 4.1 36.0 1.0 C5 A:T3601 4.3 84.8 1.0 CE2 A:TYR335 4.3 60.0 1.0 C1 A:T3601 4.3 78.3 1.0 CZ A:TYR335 4.4 56.8 1.0 CG1 A:ILE428 4.5 51.5 1.0 C4 A:T3601 4.6 76.7 1.0 OH A:TYR335 4.6 53.0 1.0 CA A:ILE428 4.7 55.5 1.0 CD2 A:TYR335 4.8 61.5 1.0 CG A:MET431 4.8 49.0 1.0 C3 A:T3601 4.9 83.8 1.0 CE1 A:PHE427 4.9 56.3 1.0 CG A:PHE427 4.9 63.5 1.0 C10 A:T3601 4.9 82.2 1.0 CE1 A:TYR335 5.0 55.1 1.0

Y.Ge, T.Dou, T.U.Nguyen, G.P.Yadav, T.G.Wensel, J.Jiang, P.Huang. Structural Insights Into Brain Thyroid Hormone Transport Via MCT8 and OATP1C1 To Be Published.