Iodine in PDB 9fkn: Human Monocarboxylate Transporter 8 Bound to Thyroxine

The binding sites of Iodine atom in the Human Monocarboxylate Transporter 8 Bound to Thyroxine (pdb code 9fkn). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Human Monocarboxylate Transporter 8 Bound to Thyroxine, PDB code: 9fkn:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Human Monocarboxylate Transporter 8 Bound to Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Human Monocarboxylate Transporter 8 Bound to Thyroxine within 5.0Å range: probe atom residue distance (Å) B Occ A:I600 b:24.0 occ:1.00 I3 A:T44600 0.0 24.0 1.0 C3 A:T44600 2.1 42.7 1.0 HG12 A:ILE428 2.9 49.1 1.0 HE2 A:PHE427 3.0 48.1 1.0 C4 A:T44600 3.0 43.2 1.0 C2 A:T44600 3.0 41.7 1.0 H1 A:T44600 3.1 41.7 1.0 O4 A:T44600 3.1 47.1 1.0 HE3 A:MET459 3.6 30.0 1.0 OH A:TYR335 3.6 49.7 1.0 CZ A:TYR335 3.6 49.7 1.0 CE2 A:PHE427 3.7 48.1 1.0 HE2 A:MET455 3.7 43.4 1.0 CE1 A:TYR335 3.8 49.7 1.0 HE1 A:TYR335 3.8 49.7 1.0 CG1 A:ILE428 3.8 49.1 1.0 HH A:TYR335 3.9 49.7 1.0 HZ A:PHE427 4.0 48.1 1.0 HE2 A:MET459 4.0 30.0 1.0 C1' A:T44600 4.0 50.6 1.0 HG13 A:ILE428 4.1 49.1 1.0 CZ A:PHE427 4.2 48.1 1.0 HD13 A:ILE428 4.2 49.1 1.0 CE2 A:TYR335 4.2 49.7 1.0 H2' A:T44600 4.2 52.5 1.0 CE A:MET459 4.3 30.0 1.0 C5 A:T44600 4.3 40.2 1.0 C1 A:T44600 4.4 41.5 1.0 HD11 A:ILE428 4.4 49.1 1.0 CD1 A:ILE428 4.4 49.1 1.0 HG23 A:ILE428 4.5 49.1 1.0 C2' A:T44600 4.5 52.5 1.0 CD1 A:TYR335 4.5 49.7 1.0 CE A:MET455 4.5 43.4 1.0 HE2 A:TYR335 4.5 49.7 1.0 CD2 A:PHE427 4.6 48.1 1.0 HG21 A:ILE428 4.6 49.1 1.0 HD2 A:PHE427 4.6 48.1 1.0 HA A:ILE428 4.7 49.1 1.0 HE3 A:MET455 4.7 43.4 1.0 OXT A:T44600 4.8 42.0 1.0 HE1 A:MET455 4.8 43.4 1.0 CG2 A:ILE428 4.9 49.1 1.0 C6 A:T44600 4.9 39.6 1.0 CB A:ILE428 4.9 49.1 1.0 CD2 A:TYR335 4.9 49.7 1.0 HD1 A:TYR335 4.9 49.7 1.0 C6' A:T44600 5.0 52.8 1.0

Iodine binding site 2 out of 4 in the Human Monocarboxylate Transporter 8 Bound to Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Human Monocarboxylate Transporter 8 Bound to Thyroxine within 5.0Å range: probe atom residue distance (Å) B Occ A:I600 b:61.9 occ:1.00 I3' A:T44600 0.0 61.9 1.0 C3' A:T44600 2.1 56.8 1.0 C4' A:T44600 3.0 57.9 1.0 C2' A:T44600 3.1 52.5 1.0 H2' A:T44600 3.1 52.5 1.0 O4' A:T44600 3.2 61.5 1.0 HG22 A:ILE428 3.6 49.1 1.0 HG23 A:ILE428 3.7 49.1 1.0 HO4' A:T44600 3.7 61.5 1.0 HZ A:PHE213 3.7 40.8 1.0 HD22 A:LEU217 3.8 40.8 1.0 HG21 A:ILE428 3.9 49.1 1.0 CG2 A:ILE428 3.9 49.1 1.0 HD22 A:ASN111 4.2 40.9 1.0 C5' A:T44600 4.3 56.7 1.0 C1' A:T44600 4.4 50.6 1.0 HD21 A:ASN111 4.4 40.9 1.0 HH12 A:ARG371 4.4 45.7 1.0 OG A:SER236 4.4 42.1 1.0 HD23 A:LEU217 4.5 40.8 1.0 CD2 A:LEU217 4.6 40.8 1.0 CZ A:PHE213 4.6 40.8 1.0 ND2 A:ASN111 4.7 40.9 1.0 HG A:SER236 4.7 42.1 1.0 HD11 A:LEU217 4.8 40.8 1.0 C6' A:T44600 4.9 52.8 1.0 HE1 A:PHE213 5.0 40.8 1.0 O A:ILE428 5.0 49.1 1.0

Iodine binding site 3 out of 4 in the Human Monocarboxylate Transporter 8 Bound to Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Human Monocarboxylate Transporter 8 Bound to Thyroxine within 5.0Å range: probe atom residue distance (Å) B Occ A:I600 b:24.2 occ:1.00 I5 A:T44600 0.0 24.2 1.0 C5 A:T44600 2.1 40.2 1.0 HE1 A:PHE155 2.8 42.8 1.0 C6 A:T44600 3.0 39.6 1.0 H6 A:T44600 3.0 39.6 1.0 C4 A:T44600 3.1 43.2 1.0 HZ A:PHE115 3.2 48.4 1.0 O4 A:T44600 3.3 47.1 1.0 C1' A:T44600 3.4 50.6 1.0 HZ A:PHE213 3.4 40.8 1.0 HE2 A:PHE213 3.4 40.8 1.0 CE1 A:PHE155 3.5 42.8 1.0 C2' A:T44600 3.5 52.5 1.0 HD23 A:LEU452 3.5 42.2 1.0 CZ A:PHE213 3.6 40.8 1.0 CE2 A:PHE213 3.6 40.8 1.0 H2' A:T44600 3.6 52.5 1.0 HD21 A:LEU452 3.6 42.2 1.0 HZ A:PHE155 3.7 42.8 1.0 CZ A:PHE155 4.0 42.8 1.0 CZ A:PHE115 4.0 48.4 1.0 C6' A:T44600 4.0 52.8 1.0 CD2 A:LEU452 4.0 42.2 1.0 C3' A:T44600 4.3 56.8 1.0 C1 A:T44600 4.3 41.5 1.0 C3 A:T44600 4.4 42.7 1.0 H6' A:T44600 4.4 52.8 1.0 HE1 A:PHE115 4.4 48.4 1.0 CE1 A:PHE213 4.4 40.8 1.0 CD2 A:PHE213 4.5 40.8 1.0 HD22 A:LEU452 4.5 42.2 1.0 CD1 A:PHE155 4.5 42.8 1.0 HD1 A:PHE155 4.6 42.8 1.0 HG21 A:ILE154 4.6 44.5 1.0 CE1 A:PHE115 4.6 48.4 1.0 C5' A:T44600 4.7 56.7 1.0 HG22 A:ILE154 4.8 44.5 1.0 HD11 A:LEU452 4.8 42.2 1.0 HE1 A:PHE213 4.8 40.8 1.0 C4' A:T44600 4.8 57.9 1.0 HD2 A:PHE213 4.9 40.8 1.0 C2 A:T44600 4.9 41.7 1.0 HE2 A:PHE115 4.9 48.4 1.0 CE2 A:PHE115 4.9 48.4 1.0 HD13 A:LEU452 5.0 42.2 1.0

Iodine binding site 4 out of 4 in the Human Monocarboxylate Transporter 8 Bound to Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Human Monocarboxylate Transporter 8 Bound to Thyroxine within 5.0Å range: probe atom residue distance (Å) B Occ A:I600 b:63.2 occ:1.00 I5' A:T44600 0.0 63.2 1.0 C5' A:T44600 2.1 56.7 1.0 HE1 A:MET431 3.0 45.8 1.0 C4' A:T44600 3.0 57.9 1.0 C6' A:T44600 3.0 52.8 1.0 HO4' A:T44600 3.1 61.5 1.0 H6' A:T44600 3.1 52.8 1.0 O4' A:T44600 3.2 61.5 1.0 HB3 A:MET431 3.4 45.8 1.0 HB2 A:MET431 3.4 45.8 1.0 HD22 A:LEU451 3.6 41.2 1.0 HG23 A:ILE448 3.7 41.3 1.0 HD12 A:LEU217 3.9 40.8 1.0 CB A:MET431 3.9 45.8 1.0 CE A:MET431 3.9 45.8 1.0 HG A:LEU452 4.1 42.2 1.0 HD23 A:LEU452 4.1 42.2 1.0 HD11 A:LEU217 4.2 40.8 1.0 HG12 A:ILE448 4.2 41.3 1.0 C3' A:T44600 4.3 56.8 1.0 HG21 A:ILE448 4.3 41.3 1.0 HD11 A:LEU452 4.3 42.2 1.0 C1' A:T44600 4.4 50.6 1.0 HB1 A:ALA432 4.4 43.3 1.0 HE2 A:MET431 4.4 45.8 1.0 SD A:MET431 4.4 45.8 1.0 CG2 A:ILE448 4.5 41.3 1.0 CD1 A:LEU217 4.5 40.8 1.0 HE3 A:MET431 4.5 45.8 1.0 CD2 A:LEU451 4.5 41.2 1.0 HA A:ALA432 4.5 43.3 1.0 N A:ALA432 4.6 43.3 1.0 H A:ALA432 4.6 43.3 1.0 HD21 A:LEU451 4.7 41.2 1.0 CG A:LEU452 4.8 42.2 1.0 C A:MET431 4.8 45.8 1.0 CG A:MET431 4.8 45.8 1.0 CD2 A:LEU452 4.8 42.2 1.0 HG A:LEU451 4.9 41.2 1.0 C2' A:T44600 4.9 52.5 1.0 HD13 A:LEU217 4.9 40.8 1.0 CA A:MET431 5.0 45.8 1.0 CA A:ALA432 5.0 43.3 1.0 CD1 A:LEU452 5.0 42.2 1.0

F.Coscia, M.Tassinari. Mechanism of Ligand Binding and Inhibition of Human Monocarboxylate Transporter 8 To Be Published.