Iodine in PDB 1sn0: Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution

The structure of Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution, PDB code: 1sn0 was solved by T.Eneqvist, E.Lundberg, A.Karlsson, S.Huang, C.R.Santos, D.M.Power, A.E.Sauer-Eriksson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.84 / 1.90
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	58.455, 58.455, 140.116, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.6

The binding sites of Iodine atom in the Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution (pdb code 1sn0). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution, PDB code: 1sn0:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution


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 Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I602 b:53.3 occ:1.00 I3 B:T44602 0.0 53.3 1.0 C3 B:T44602 2.1 55.1 1.0 O4 B:T44602 2.9 53.6 1.0 C4 B:T44602 3.0 54.6 1.0 C2 B:T44602 3.2 56.1 1.0 C1' B:T44602 3.4 52.5 1.0 C2' B:T44602 4.1 51.7 1.0 CG2 B:THR106 4.1 12.9 1.0 C6' B:T44602 4.1 52.5 1.0 CG2 B:VAL121 4.1 16.8 1.0 CD1 D:LEU17 4.4 17.4 1.0 C5 B:T44602 4.4 55.3 1.0 C1 B:T44602 4.4 57.6 1.0 CE D:LYS15 4.5 19.4 1.0 CB B:LYS15 4.7 11.8 1.0 CB B:THR106 4.8 12.1 1.0 CB B:ALA108 4.8 12.1 1.0 CD2 D:LEU17 4.9 16.0 1.0 CG B:LYS15 4.9 13.2 1.0 C6 B:T44602 4.9 56.6 1.0 CB B:VAL121 5.0 15.7 1.0

Iodine binding site 2 out of 8 in the Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution


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 Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I602 b:48.1 occ:1.00 I3' B:T44602 0.0 48.1 1.0 C3' B:T44602 2.1 50.9 1.0 C4' B:T44602 3.0 51.3 1.0 O4' B:T44602 3.1 50.6 1.0 C2' B:T44602 3.1 51.7 1.0 O B:LEU109 3.3 12.4 1.0 CD1 B:LEU17 3.4 14.7 1.0 O B:HOH615 3.4 30.0 1.0 C B:LEU109 3.5 11.8 1.0 N B:LEU109 3.6 11.9 1.0 CG B:LEU17 3.8 12.1 1.0 O B:LYS15 3.8 11.0 1.0 N B:LEU110 3.8 11.1 1.0 CB B:ALA108 3.9 12.1 1.0 CA B:LEU110 4.1 11.0 1.0 CB B:LEU110 4.1 10.8 1.0 C B:ALA108 4.1 12.3 1.0 CA B:LEU109 4.2 12.3 1.0 CB B:LEU17 4.2 11.7 1.0 C5' B:T44602 4.3 52.5 1.0 CA B:ALA108 4.3 11.9 1.0 N B:LEU17 4.4 11.1 1.0 C1' B:T44602 4.5 52.5 1.0 CD1 B:LEU110 4.6 12.6 1.0 C B:LYS15 4.8 11.3 1.0 C6' B:T44602 4.9 52.5 1.0 O B:ALA108 4.9 11.8 1.0 CG B:LEU110 5.0 11.5 1.0 CA B:LEU17 5.0 11.7 1.0

Iodine binding site 3 out of 8 in the Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution


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 Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I602 b:54.6 occ:1.00 I5 B:T44602 0.0 54.6 1.0 C5 B:T44602 2.1 55.3 1.0 C6 B:T44602 3.1 56.6 1.0 C4 B:T44602 3.1 54.6 1.0 O4 B:T44602 3.3 53.6 1.0 C1' B:T44602 3.6 52.5 1.0 C2' B:T44602 4.1 51.7 1.0 CG2 D:THR106 4.2 18.3 1.0 C6' B:T44602 4.2 52.5 1.0 C1 B:T44602 4.4 57.6 1.0 CE B:LYS15 4.5 16.8 1.0 C3 B:T44602 4.5 55.1 1.0 CD1 B:LEU17 4.5 14.7 1.0 CG2 D:VAL121 4.5 19.2 1.0 CB D:ALA108 4.7 13.7 1.0 CB D:LYS15 4.7 15.4 1.0 CD2 B:LEU17 4.9 13.2 1.0 CG D:LYS15 4.9 15.6 1.0 CB D:THR106 4.9 18.1 1.0 C2 B:T44602 5.0 56.1 1.0 C3' B:T44602 5.0 50.9 1.0

Iodine binding site 4 out of 8 in the Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:I602 b:55.5 occ:1.00 I5' B:T44602 0.0 55.5 1.0 C5' B:T44602 2.1 52.5 1.0 C6' B:T44602 3.0 52.5 1.0 C4' B:T44602 3.1 51.3 1.0 O D:LEU109 3.3 14.9 1.0 O4' B:T44602 3.3 50.6 1.0 N D:LEU109 3.5 14.0 1.0 C D:LEU109 3.5 14.2 1.0 O D:HOH138 3.6 37.6 1.0 CD1 D:LEU17 3.6 17.4 1.0 CB D:ALA108 3.7 13.7 1.0 O D:LYS15 3.7 14.0 1.0 CG D:LEU17 3.8 14.9 1.0 N D:LEU110 3.8 13.2 1.0 C D:ALA108 3.9 13.8 1.0 CA D:LEU109 4.1 14.2 1.0 CB D:LEU110 4.1 13.1 1.0 CA D:LEU110 4.1 13.0 1.0 CA D:ALA108 4.1 13.7 1.0 CB D:LEU17 4.1 12.6 1.0 C1' B:T44602 4.3 52.5 1.0 N D:LEU17 4.4 12.3 1.0 C3' B:T44602 4.4 50.9 1.0 CD1 D:LEU110 4.7 15.8 1.0 O D:ALA108 4.7 13.9 1.0 C D:LYS15 4.7 14.4 1.0 CA D:LEU17 4.9 12.7 1.0 C2' B:T44602 5.0 51.7 1.0

Iodine binding site 5 out of 8 in the Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:I601 b:50.1 occ:1.00 I3 C:T44601 0.0 50.1 1.0 C3 C:T44601 2.1 52.1 1.0 C4 C:T44601 3.0 51.0 1.0 O4 C:T44601 3.1 48.2 1.0 C2 C:T44601 3.1 53.8 1.0 C1' C:T44601 3.5 46.3 1.0 C2' C:T44601 4.1 44.8 1.0 CG2 C:THR106 4.1 17.3 1.0 CG2 C:VAL121 4.1 19.3 1.0 C6' C:T44601 4.3 45.5 1.0 CD1 A:LEU17 4.3 15.4 1.0 CE A:LYS15 4.4 18.4 1.0 C1 C:T44601 4.4 55.0 1.0 C5 C:T44601 4.4 52.3 1.0 CD2 A:LEU17 4.7 15.3 1.0 CB C:THR106 4.8 17.5 1.0 CB C:VAL121 4.8 19.9 1.0 CB C:ALA108 4.8 13.1 1.0 CB C:LYS15 4.9 14.3 1.0 C6 C:T44601 5.0 53.7 1.0

Iodine binding site 6 out of 8 in the Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:I601 b:43.2 occ:1.00 I3' C:T44601 0.0 43.2 1.0 C3' C:T44601 2.1 43.6 1.0 C2' C:T44601 3.0 44.8 1.0 C4' C:T44601 3.0 42.6 1.0 O4' C:T44601 3.2 40.2 1.0 O C:LEU109 3.5 14.5 1.0 N C:LEU109 3.5 13.8 1.0 O C:LYS15 3.6 13.4 1.0 C C:LEU109 3.7 14.2 1.0 CB C:ALA108 3.7 13.1 1.0 CG C:LEU17 3.7 15.7 1.0 CD1 C:LEU17 3.7 18.0 1.0 O C:HOH615 3.8 27.4 1.0 C C:ALA108 4.0 13.0 1.0 CB C:LEU17 4.0 14.4 1.0 CA C:ALA108 4.1 13.1 1.0 N C:LEU110 4.1 13.6 1.0 CA C:LEU109 4.2 14.0 1.0 N C:LEU17 4.3 13.8 1.0 C1' C:T44601 4.3 46.3 1.0 CA C:LEU110 4.4 12.9 1.0 C5' C:T44601 4.4 43.7 1.0 CB C:LEU110 4.4 13.3 1.0 C C:LYS15 4.5 13.9 1.0 O C:ALA108 4.8 12.7 1.0 CA C:LEU17 4.8 13.8 1.0 C6' C:T44601 4.8 45.5 1.0 CD1 C:LEU110 4.8 14.6 1.0 CG C:LYS15 4.9 15.4 1.0 C C:ILE16 5.0 13.9 1.0 CB C:LYS15 5.0 14.3 1.0 CA C:ILE16 5.0 13.3 1.0

Iodine binding site 7 out of 8 in the Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:I601 b:51.3 occ:1.00 I5 C:T44601 0.0 51.3 1.0 C5 C:T44601 2.1 52.3 1.0 C6 C:T44601 3.1 53.7 1.0 C4 C:T44601 3.1 51.0 1.0 O4 C:T44601 3.2 48.2 1.0 C1' C:T44601 3.6 46.3 1.0 O A:HOH798 4.0 35.9 1.0 C2' C:T44601 4.0 44.8 1.0 CG2 A:THR106 4.2 12.9 1.0 C6' C:T44601 4.3 45.5 1.0 C1 C:T44601 4.4 55.0 1.0 CD1 C:LEU17 4.4 18.0 1.0 CG2 A:VAL121 4.5 12.8 1.0 C3 C:T44601 4.5 52.1 1.0 CE C:LYS15 4.7 19.6 1.0 CB A:LYS15 4.7 12.8 1.0 CG A:LYS15 4.8 14.9 1.0 CB A:ALA108 4.8 11.8 1.0 CB A:THR106 4.9 12.9 1.0 C2 C:T44601 5.0 53.8 1.0

Iodine binding site 8 out of 8 in the Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Sea Bream Transthyretin in Complex with Thyroxine at 1.9A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:I601 b:43.6 occ:1.00 I5' C:T44601 0.0 43.6 1.0 C5' C:T44601 2.0 43.7 1.0 C4' C:T44601 3.0 42.6 1.0 C6' C:T44601 3.1 45.5 1.0 O4' C:T44601 3.2 40.2 1.0 O A:LEU109 3.4 12.9 1.0 O A:HOH716 3.4 23.1 1.0 C A:LEU109 3.4 11.8 1.0 N A:LEU109 3.6 10.7 1.0 N A:LEU110 3.6 11.5 1.0 CD1 A:LEU17 3.7 15.4 1.0 CA A:LEU110 3.9 11.4 1.0 CB A:LEU110 3.9 11.5 1.0 CB A:ALA108 3.9 11.8 1.0 CG A:LEU17 3.9 14.5 1.0 CA A:LEU109 4.1 11.5 1.0 O A:LYS15 4.1 12.0 1.0 C A:ALA108 4.1 11.2 1.0 CB A:LEU17 4.2 12.9 1.0 CA A:ALA108 4.4 11.2 1.0 C3' C:T44601 4.4 43.6 1.0 C1' C:T44601 4.4 46.3 1.0 N A:LEU17 4.6 12.6 1.0 CD1 A:LEU110 4.7 13.7 1.0 CG A:LEU110 4.9 13.4 1.0 O A:ALA108 4.9 10.2 1.0

T.Eneqvist, E.Lundberg, A.Karlsson, S.Huang, C.R.Santos, D.M.Power, A.E.Sauer-Eriksson. High Resolution Crystal Structures of Piscine Transthyretin Reveal Different Binding Modes For Triiodothyronine and Thyroxine. J.Biol.Chem. V. 279 26411 2004.
ISSN: ISSN 0021-9258
PubMed: 15082720
DOI: 10.1074/JBC.M313553200