Iodine in PDB 9dxp: Cryo-Em Structure of Human OATP1C1 in Complex with Thyroid Hormone T4

The binding sites of Iodine atom in the Cryo-Em Structure of Human OATP1C1 in Complex with Thyroid Hormone T4 (pdb code 9dxp). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Cryo-Em Structure of Human OATP1C1 in Complex with Thyroid Hormone T4, PDB code: 9dxp:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Cryo-Em Structure of Human OATP1C1 in Complex with Thyroid Hormone T4


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 OATP1C1 in Complex with Thyroid Hormone T4 within 5.0Å range: probe atom residue distance (Å) B Occ A:I801 b:78.8 occ:1.00 I3 A:T44801 0.0 78.8 1.0 C3 A:T44801 2.1 45.5 1.0 C2 A:T44801 3.0 41.4 1.0 C4 A:T44801 3.0 46.5 1.0 O4 A:T44801 3.2 43.5 1.0 C1' A:T44801 3.6 46.6 1.0 CG2 A:VAL373 3.8 16.9 1.0 C2' A:T44801 3.8 46.5 1.0 O A:LEU369 3.9 3.7 1.0 C A:LEU369 4.0 7.8 1.0 CD1 A:PHE370 4.0 24.6 1.0 N A:PHE370 4.0 1.5 1.0 CB A:LEU369 4.1 12.0 1.0 CE1 A:PHE370 4.2 23.2 1.0 CA A:PHE370 4.2 8.1 1.0 CB A:VAL373 4.3 20.7 1.0 CG A:PHE370 4.3 14.1 1.0 C6' A:T44801 4.3 41.7 1.0 C1 A:T44801 4.3 47.9 1.0 C5 A:T44801 4.3 51.2 1.0 CE2 A:PHE366 4.5 12.8 1.0 CD2 A:PHE366 4.6 4.6 1.0 CZ A:PHE370 4.6 14.2 1.0 CA A:LEU369 4.7 14.8 1.0 CG1 A:VAL373 4.7 18.7 1.0 C3' A:T44801 4.8 49.7 1.0 CD2 A:PHE370 4.8 13.8 1.0 C6 A:T44801 4.9 46.2 1.0 CB A:PHE370 4.9 7.0 1.0 CE2 A:PHE370 4.9 3.6 1.0

Iodine binding site 2 out of 4 in the Cryo-Em Structure of Human OATP1C1 in Complex with Thyroid Hormone T4


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 OATP1C1 in Complex with Thyroid Hormone T4 within 5.0Å range: probe atom residue distance (Å) B Occ A:I801 b:66.3 occ:1.00 I3' A:T44801 0.0 66.3 1.0 C3' A:T44801 2.1 49.7 1.0 C2' A:T44801 3.0 46.5 1.0 C4' A:T44801 3.0 42.7 1.0 O4' A:T44801 3.2 34.2 1.0 CD1 A:LEU565 4.0 6.4 1.0 CA A:SER562 4.0 14.9 1.0 CB A:LEU565 4.1 8.6 1.0 OG A:SER562 4.1 19.6 1.0 CD1 A:LEU369 4.1 19.1 1.0 O A:SER562 4.2 11.6 1.0 CB A:SER562 4.3 10.1 1.0 C1' A:T44801 4.3 46.6 1.0 C5' A:T44801 4.3 48.0 1.0 OG A:SER566 4.4 19.6 1.0 CE A:MET372 4.4 17.9 1.0 CG2 A:VAL403 4.4 12.3 1.0 CD2 A:LEU369 4.4 14.8 1.0 C A:SER562 4.6 20.2 1.0 CG A:LEU565 4.7 17.4 1.0 CG A:LEU369 4.8 16.2 1.0 C6' A:T44801 4.9 41.7 1.0 N A:SER562 5.0 9.6 1.0

Iodine binding site 3 out of 4 in the Cryo-Em Structure of Human OATP1C1 in Complex with Thyroid Hormone T4


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 OATP1C1 in Complex with Thyroid Hormone T4 within 5.0Å range: probe atom residue distance (Å) B Occ A:I801 b:106.7 occ:1.00 I5 A:T44801 0.0 106.7 1.0 C5 A:T44801 2.1 51.2 1.0 C6 A:T44801 3.0 46.2 1.0 C4 A:T44801 3.0 46.5 1.0 O4 A:T44801 3.2 43.5 1.0 CD1 A:ILE400 3.6 18.3 1.0 C6' A:T44801 3.7 41.7 1.0 C1' A:T44801 3.7 46.6 1.0 CG2 A:ILE233 3.9 8.7 1.0 CG1 A:ILE233 4.3 13.7 1.0 C1 A:T44801 4.3 47.9 1.0 C3 A:T44801 4.3 45.5 1.0 CG2 A:ILE400 4.4 10.5 1.0 CG1 A:VAL403 4.5 7.8 1.0 CB A:ILE233 4.5 15.4 1.0 O A:ILE233 4.6 19.9 1.0 CA A:ILE233 4.7 2.6 1.0 C5' A:T44801 4.8 48.0 1.0 CD1 A:ILE233 4.8 17.9 1.0 C2 A:T44801 4.9 41.4 1.0 CG1 A:ILE400 4.9 21.0 1.0 C2' A:T44801 4.9 46.5 1.0 CB A:VAL403 4.9 11.6 1.0

Iodine binding site 4 out of 4 in the Cryo-Em Structure of Human OATP1C1 in Complex with Thyroid Hormone T4


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Cryo-Em Structure of Human OATP1C1 in Complex with Thyroid Hormone T4 within 5.0Å range: probe atom residue distance (Å) B Occ A:I801 b:79.0 occ:1.00 I5' A:T44801 0.0 79.0 1.0 C5' A:T44801 2.1 48.0 1.0 C4' A:T44801 3.0 42.7 1.0 C6' A:T44801 3.0 41.7 1.0 O4' A:T44801 3.2 34.2 1.0 OD1 A:ASN399 3.2 31.2 1.0 NZ A:LYS376 3.5 19.6 1.0 CG A:ASN399 3.7 29.5 1.0 CD1 A:ILE400 3.7 18.3 1.0 CE A:LYS376 3.7 22.9 1.0 CG2 A:ILE395 3.9 15.6 1.0 CB A:ASN399 4.0 10.9 1.0 CG1 A:VAL373 4.1 18.7 1.0 CG2 A:VAL373 4.2 16.9 1.0 C3' A:T44801 4.3 49.7 1.0 C1' A:T44801 4.4 46.6 1.0 ND2 A:ASN399 4.4 25.1 1.0 CG1 A:ILE400 4.5 21.0 1.0 CB A:VAL373 4.7 20.7 1.0 N A:ILE400 4.7 14.6 1.0 C A:ASN399 4.8 16.4 1.0 CG2 A:VAL403 4.8 12.3 1.0 O A:ILE395 4.8 17.7 1.0 C2' A:T44801 4.9 46.5 1.0 OG A:SER562 4.9 19.6 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.