Iodine in PDB 1ie4: Rat Transthyretin Complex with Thyroxine (T4)

The structure of Rat Transthyretin Complex with Thyroxine (T4), PDB code: 1ie4 was solved by A.Wojtczak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.526, 82.526, 161.844, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 27.5

The binding sites of Iodine atom in the Rat Transthyretin Complex with Thyroxine (T4) (pdb code 1ie4). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Rat Transthyretin Complex with Thyroxine (T4), PDB code: 1ie4:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the Rat Transthyretin Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Rat Transthyretin Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:40.5 occ:0.40 I3 A:T44128 0.0 40.5 0.4 C3 A:T44128 2.1 40.8 0.4 C2 A:T44128 3.0 40.8 0.4 C4 A:T44128 3.0 41.4 0.4 O4 A:T44128 3.2 42.5 0.4 C1' A:T44128 3.7 43.3 0.4 CB C:ALA108 4.0 5.0 1.0 C2' A:T44128 4.1 43.9 0.4 CD C:LYS15 4.1 12.8 1.0 CG2 C:THR106 4.1 5.0 1.0 C5 A:T44128 4.3 41.4 0.4 C1 A:T44128 4.3 41.3 0.4 CD1 A:LEU17 4.4 5.2 1.0 CE A:LYS15 4.4 18.4 1.0 C6' A:T44128 4.5 42.6 0.4 NZ A:LYS15 4.8 24.0 1.0 C6 A:T44128 4.8 41.7 0.4 CG2 C:VAL121 4.9 5.0 1.0 CE C:LYS15 5.0 16.6 1.0

Iodine binding site 2 out of 8 in the Rat Transthyretin Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Rat Transthyretin Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:43.5 occ:0.40 I3' A:T44128 0.0 43.5 0.4 C3' A:T44128 2.1 43.8 0.4 C2' A:T44128 3.0 43.9 0.4 C4' A:T44128 3.0 42.9 0.4 O A:ALA109 3.1 5.0 1.0 O4' A:T44128 3.2 45.4 0.4 O A:HOH1079 3.4 5.0 1.0 CG A:LEU17 3.5 5.0 1.0 C A:ALA109 3.5 5.0 1.0 CB A:LEU17 3.7 5.0 1.0 N A:ALA109 3.7 5.0 1.0 N A:LEU17 3.7 5.0 1.0 CD1 A:LEU17 3.8 5.2 1.0 CB A:ALA108 3.9 5.0 1.0 N A:LEU110 4.0 5.0 1.0 O A:LYS15 4.1 5.0 1.0 CA A:LEU110 4.2 5.0 1.0 C A:ALA108 4.2 5.0 1.0 CA A:ALA109 4.2 5.0 1.0 C5' A:T44128 4.3 42.5 0.4 C1' A:T44128 4.3 43.3 0.4 CA A:LEU17 4.3 5.0 1.0 CA A:ALA108 4.4 5.8 1.0 CB A:LEU110 4.4 5.0 1.0 C A:VAL16 4.5 5.0 1.0 CA A:VAL16 4.6 5.5 1.0 CG A:LYS15 4.6 6.8 1.0 C A:LYS15 4.7 6.0 1.0 CD1 A:LEU110 4.8 5.0 1.0 CD2 A:LEU17 4.8 5.0 1.0 C6' A:T44128 4.8 42.6 0.4 N A:VAL16 4.9 5.8 1.0

Iodine binding site 3 out of 8 in the Rat Transthyretin Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Rat Transthyretin Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:39.7 occ:0.40 I5 A:T44128 0.0 39.7 0.4 C5 A:T44128 2.1 41.4 0.4 C6 A:T44128 3.0 41.7 0.4 C4 A:T44128 3.0 41.4 0.4 O4 A:T44128 3.2 42.5 0.4 CD2 C:LEU17 3.7 6.2 1.0 C1' A:T44128 3.8 43.3 0.4 CB A:ALA108 4.1 5.0 1.0 C2' A:T44128 4.2 43.9 0.4 CG2 A:VAL121 4.3 8.7 1.0 C1 A:T44128 4.3 41.3 0.4 C3 A:T44128 4.3 40.8 0.4 CG2 A:THR106 4.4 5.0 1.0 NZ C:LYS15 4.4 16.6 1.0 CD1 C:LEU17 4.5 7.8 1.0 CG C:LEU17 4.7 8.3 1.0 C6' A:T44128 4.8 42.6 0.4 CE C:LYS15 4.8 16.6 1.0 C2 A:T44128 4.8 40.8 0.4

Iodine binding site 4 out of 8 in the Rat Transthyretin Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Rat Transthyretin Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:40.2 occ:0.40 I5' A:T44128 0.0 40.2 0.4 C5' A:T44128 2.1 42.5 0.4 C4' A:T44128 3.0 42.9 0.4 C6' A:T44128 3.0 42.6 0.4 O4' A:T44128 3.2 45.4 0.4 O C:HOH1131 3.2 18.3 1.0 CB C:LEU110 3.9 5.0 1.0 O A:HOH1007 4.0 24.7 1.0 N C:LEU110 4.1 6.7 1.0 OG C:SER117 4.2 5.4 1.0 OG1 C:THR119 4.2 10.0 1.0 O C:SER117 4.2 5.8 1.0 C3' A:T44128 4.3 43.8 0.4 C C:ALA109 4.3 5.9 1.0 CB C:ALA108 4.3 5.0 1.0 C1' A:T44128 4.3 43.3 0.4 O C:ALA108 4.4 5.0 1.0 C C:ALA108 4.4 5.0 1.0 N C:ALA109 4.4 5.0 1.0 CA C:ALA109 4.5 5.0 1.0 CA C:LEU110 4.6 7.3 1.0 CB C:THR119 4.7 5.0 1.0 N C:THR119 4.8 7.5 1.0 O A:HOH1079 4.8 5.0 1.0 O C:ALA109 4.9 6.0 1.0 C2' A:T44128 4.9 43.9 0.4 C C:SER117 4.9 6.3 1.0 CG C:LEU110 5.0 5.0 1.0

Iodine binding site 5 out of 8 in the Rat Transthyretin Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Rat Transthyretin Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I328 b:46.6 occ:0.36 I3 B:T44328 0.0 46.6 0.4 C3 B:T44328 2.1 48.0 0.4 C2 B:T44328 3.0 48.4 0.4 C4 B:T44328 3.0 48.7 0.4 O4 B:T44328 3.3 48.6 0.4 C6' B:T44328 4.0 50.5 0.4 C1' B:T44328 4.0 48.5 0.4 CD1 D:LEU17 4.0 5.0 1.0 CE D:LYS15 4.1 14.8 1.0 CB B:ALA108 4.2 5.0 1.0 C1 B:T44328 4.3 49.3 0.4 CG2 B:VAL121 4.3 11.9 1.0 C5 B:T44328 4.3 50.2 0.4 OG1 B:THR106 4.5 12.6 1.0 CD2 D:LEU17 4.7 8.4 1.0 O D:HOH1033 4.7 26.1 1.0 C6 B:T44328 4.8 50.2 0.4 CG D:LEU17 4.9 6.6 1.0 CD D:LYS15 5.0 14.8 1.0

Iodine binding site 6 out of 8 in the Rat Transthyretin Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Rat Transthyretin Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I328 b:51.1 occ:0.36 I3' B:T44328 0.0 51.1 0.4 C3' B:T44328 2.1 48.7 0.4 C4' B:T44328 3.0 50.5 0.4 C2' B:T44328 3.0 48.6 0.4 O4' B:T44328 3.1 48.1 0.4 O D:HOH1132 3.5 23.2 1.0 CB D:ALA108 3.5 5.0 1.0 N D:ALA109 3.5 5.8 1.0 C D:ALA108 3.6 5.1 1.0 N D:LEU110 3.7 5.0 1.0 CG2 D:THR119 3.8 7.0 1.0 CA D:ALA109 3.8 5.0 1.0 O D:ALA108 3.8 5.0 1.0 C D:ALA109 3.8 5.0 1.0 O D:SER117 3.9 5.4 1.0 CB D:LEU110 4.1 5.0 1.0 CA D:ALA108 4.2 5.2 1.0 C5' B:T44328 4.3 51.5 0.4 C1' B:T44328 4.4 48.5 0.4 C D:SER117 4.4 5.5 1.0 CA D:LEU110 4.5 5.0 1.0 CA D:THR118 4.5 6.3 1.0 N D:THR119 4.5 6.6 1.0 O D:ALA109 4.5 5.2 1.0 N D:THR118 4.7 5.7 1.0 C D:THR118 4.7 5.7 1.0 CB D:THR119 4.8 7.1 1.0 CB D:SER117 4.8 7.7 1.0 C6' B:T44328 4.9 50.5 0.4

Iodine binding site 7 out of 8 in the Rat Transthyretin Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Rat Transthyretin Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I328 b:52.9 occ:0.36 I5 B:T44328 0.0 52.9 0.4 C5 B:T44328 2.1 50.2 0.4 C6 B:T44328 3.0 50.2 0.4 C4 B:T44328 3.0 48.7 0.4 O4 B:T44328 3.3 48.6 0.4 O B:HOH1134 3.6 20.1 1.0 CB D:ALA108 3.7 5.0 1.0 C1' B:T44328 3.8 48.5 0.4 C2' B:T44328 4.0 48.6 0.4 CD1 B:LEU17 4.2 8.3 1.0 CG2 D:THR106 4.2 5.0 1.0 C1 B:T44328 4.3 49.3 0.4 C3 B:T44328 4.3 48.0 0.4 CG2 D:VAL121 4.4 12.3 1.0 CD D:LYS15 4.5 14.8 1.0 C6' B:T44328 4.6 50.5 0.4 C2 B:T44328 4.8 48.4 0.4 CB D:LYS15 4.9 9.3 1.0 CA D:ALA108 4.9 5.2 1.0 CE B:LYS15 4.9 19.0 1.0

Iodine binding site 8 out of 8 in the Rat Transthyretin Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Rat Transthyretin Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I328 b:59.0 occ:0.36 I5' B:T44328 0.0 59.0 0.4 C5' B:T44328 2.1 51.5 0.4 C4' B:T44328 3.0 50.5 0.4 C6' B:T44328 3.0 50.5 0.4 O4' B:T44328 3.1 48.1 0.4 O B:HOH1085 3.2 36.2 1.0 O B:HOH1133 3.2 5.0 1.0 C B:ALA108 3.3 5.7 1.0 CB B:ALA108 3.3 5.0 1.0 C B:ALA109 3.3 5.1 1.0 O B:ALA109 3.4 5.0 1.0 N B:ALA109 3.4 5.2 1.0 O B:ALA108 3.4 6.2 1.0 N B:LEU110 3.7 5.1 1.0 CA B:ALA109 3.7 5.0 1.0 CA B:ALA108 3.9 6.2 1.0 CB B:LEU110 4.0 5.0 1.0 CA B:LEU110 4.2 5.0 1.0 C3' B:T44328 4.2 48.7 0.4 O B:SER117 4.3 5.8 1.0 C1' B:T44328 4.3 48.5 0.4 CD2 B:LEU110 4.5 8.8 1.0 O B:LYS15 4.6 5.0 1.0 CG B:LEU110 4.7 7.4 1.0 C2' B:T44328 4.8 48.6 0.4 CB B:THR119 4.9 5.2 1.0

A.Wojtczak, V.Cody, J.R.Luft, W.Pangborn. Structure of Rat Transthyretin (Rttr) Complex with Thyroxine at 2.5 A Resolution: First Non-Biased Insight Into Thyroxine Binding Reveals Different Hormone Orientation in Two Binding Sites. Acta Crystallogr.,Sect.D V. 57 1061 2001.
ISSN: ISSN 0907-4449
PubMed: 11468389
DOI: 10.1107/S0907444901007235