Iodine in PDB 1z7j: Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)

The structure of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC), PDB code: 1z7j was solved by P.Neumann, A.Wojtczak, V.Cody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.87 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.462, 85.858, 65.443, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Iodine atom in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) (pdb code 1z7j). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 16 binding sites of Iodine where determined in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC), PDB code: 1z7j:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 16 in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:46.1 occ:0.18 I3 A:T4A128 0.0 46.1 0.2 I5' A:T4A128 1.4 41.1 0.2 C5' A:T4A128 2.1 39.4 0.2 C3 A:T4A128 2.1 45.3 0.2 C6' A:T4A128 2.3 38.1 0.2 C2 A:T4A128 3.0 45.8 0.2 C4 A:T4A128 3.0 45.0 0.2 CD1 A:LEU17 3.0 23.8 1.0 O4 A:T4A128 3.2 43.8 0.2 C4' A:T4A128 3.4 40.2 0.2 C1' A:T4A128 3.7 36.6 0.2 C1' A:T4A128 3.7 43.1 0.2 C6' A:T4A128 3.8 42.7 0.2 O4' A:T4A128 4.1 39.5 0.2 CG A:LEU17 4.2 22.7 1.0 C5 A:T4A128 4.3 45.5 0.2 C1 A:T4A128 4.3 45.9 0.2 C3' A:T4A128 4.4 40.1 0.2 C4 A:T4A128 4.5 30.7 0.2 CD2 A:LEU17 4.5 23.0 1.0 O4 A:T4A128 4.5 33.3 0.2 C2' A:T4A128 4.6 38.9 0.2 C3 A:T4A128 4.7 30.3 0.2 C2' A:T4A128 4.7 42.8 0.2 CE A:LYS15 4.7 47.4 1.0 C6 A:T4A128 4.9 45.9 0.2 C5' A:T4A128 4.9 42.7 0.2 C5 A:T4A128 4.9 30.9 0.2

Iodine binding site 2 out of 16 in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:25.9 occ:0.22 I3 A:T4A128 0.0 25.9 0.2 I5' A:T4A128 1.1 42.1 0.2 C5' A:T4A128 1.8 42.7 0.2 C3 A:T4A128 2.1 30.3 0.2 C6' A:T4A128 2.3 42.7 0.2 C4 A:T4A128 3.0 30.7 0.2 C2 A:T4A128 3.0 29.6 0.2 C4' A:T4A128 3.1 42.4 0.2 O4 A:T4A128 3.2 33.3 0.2 C1' A:T4A128 3.4 36.6 0.2 C1' A:T4A128 3.6 43.1 0.2 O4' A:T4A128 3.7 43.2 0.2 C6' A:T4A128 3.7 38.1 0.2 C2' A:T4A128 4.1 38.9 0.2 C3' A:T4A128 4.2 42.2 0.2 C5 A:T4A128 4.3 30.9 0.2 C1 A:T4A128 4.3 30.3 0.2 C2' A:T4A128 4.4 42.8 0.2 O4 A:T4A128 4.6 43.8 0.2 C5' A:T4A128 4.6 39.4 0.2 C4 A:T4A128 4.6 45.0 0.2 C3 A:T4A128 4.8 45.3 0.2 C6 A:T4A128 4.8 30.4 0.2 C3' A:T4A128 4.9 40.1 0.2

Iodine binding site 3 out of 16 in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:47.0 occ:0.18 I5 A:T4A128 0.0 47.0 0.2 I3' A:T4A128 1.7 45.4 0.2 C3' A:T4A128 1.8 40.1 0.2 C2' A:T4A128 1.9 38.9 0.2 C5 A:T4A128 2.1 45.5 0.2 C4 A:T4A128 3.0 45.0 0.2 C6 A:T4A128 3.0 45.9 0.2 C4' A:T4A128 3.1 40.2 0.2 O4 A:T4A128 3.2 43.8 0.2 C1' A:T4A128 3.3 36.6 0.2 C1' A:T4A128 3.7 43.1 0.2 O4' A:T4A128 3.9 39.5 0.2 CB A:ALA108 3.9 23.0 1.0 CG2 A:THR106 3.9 25.2 1.0 CG A:LYS15 4.0 38.1 1.0 C5' A:T4A128 4.0 39.4 0.2 CB A:LYS15 4.0 30.0 1.0 O4 A:T4A128 4.1 33.3 0.2 C6' A:T4A128 4.2 38.1 0.2 C6' A:T4A128 4.3 42.7 0.2 C3 A:T4A128 4.3 45.3 0.2 C1 A:T4A128 4.3 45.9 0.2 C2' A:T4A128 4.4 42.8 0.2 CD A:LYS15 4.8 43.5 1.0 C2 A:T4A128 4.9 45.8 0.2 CA A:ALA108 5.0 22.0 1.0

Iodine binding site 4 out of 16 in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:30.9 occ:0.22 I5 A:T4A128 0.0 30.9 0.2 C2' A:T4A128 1.9 42.8 0.2 C5 A:T4A128 2.1 30.9 0.2 C3' A:T4A128 2.1 42.2 0.2 I3' A:T4A128 2.2 40.3 0.2 C4 A:T4A128 3.0 30.7 0.2 C6 A:T4A128 3.1 30.4 0.2 O4 A:T4A128 3.2 33.3 0.2 C1' A:T4A128 3.2 43.1 0.2 C A:ALA109 3.4 20.2 1.0 C4' A:T4A128 3.4 42.4 0.2 O A:ALA109 3.5 21.2 1.0 N A:LEU110 3.5 21.0 1.0 N A:ALA109 3.6 20.8 1.0 CB A:LEU110 3.8 20.0 1.0 CA A:LEU110 3.9 19.5 1.0 CA A:ALA109 3.9 20.2 1.0 O4 A:T4A128 3.9 43.8 0.2 CB A:ALA108 3.9 23.0 1.0 C1' A:T4A128 4.0 36.6 0.2 C A:ALA108 4.1 22.7 1.0 C6' A:T4A128 4.2 42.7 0.2 C5' A:T4A128 4.2 42.7 0.2 O4' A:T4A128 4.2 43.2 0.2 C3 A:T4A128 4.3 30.3 0.2 C6' A:T4A128 4.3 38.1 0.2 C1 A:T4A128 4.4 30.3 0.2 CD1 A:LEU17 4.4 23.8 1.0 CA A:ALA108 4.6 22.0 1.0 CG A:LEU17 4.6 22.7 1.0 O A:ALA108 4.7 21.6 1.0 CB A:LEU17 4.8 21.8 1.0 O A:LYS15 4.9 25.0 1.0 C2 A:T4A128 4.9 29.6 0.2 CD1 A:LEU110 4.9 15.8 1.0 CG A:LEU110 4.9 17.9 1.0 C2' A:T4A128 4.9 38.9 0.2

Iodine binding site 5 out of 16 in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:42.1 occ:0.18 I5' A:T4A128 0.0 42.1 0.2 I3 A:T4A128 1.1 25.9 0.2 C5' A:T4A128 2.1 42.7 0.2 C3 A:T4A128 2.1 30.3 0.2 C2 A:T4A128 2.7 29.6 0.2 C4' A:T4A128 3.0 42.4 0.2 C6' A:T4A128 3.0 42.7 0.2 O4' A:T4A128 3.2 43.2 0.2 C4 A:T4A128 3.2 30.7 0.2 O4 A:T4A128 3.7 33.3 0.2 C1 A:T4A128 4.0 30.3 0.2 C1' A:T4A128 4.2 36.6 0.2 C3' A:T4A128 4.3 42.2 0.2 C1' A:T4A128 4.3 43.1 0.2 C5 A:T4A128 4.4 30.9 0.2 C6' A:T4A128 4.6 38.1 0.2 C6 A:T4A128 4.7 30.4 0.2 C2' A:T4A128 4.9 42.8 0.2 C2' A:T4A128 4.9 38.9 0.2

Iodine binding site 6 out of 16 in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:41.1 occ:0.22 I5' A:T4A128 0.0 41.1 0.2 I3 A:T4A128 1.4 46.1 0.2 C3 A:T4A128 1.8 45.3 0.2 C5' A:T4A128 2.1 39.4 0.2 C2 A:T4A128 2.2 45.8 0.2 C4' A:T4A128 3.0 40.2 0.2 C4 A:T4A128 3.1 45.0 0.2 C6' A:T4A128 3.1 38.1 0.2 O4' A:T4A128 3.2 39.5 0.2 C1 A:T4A128 3.5 45.9 0.2 O4 A:T4A128 3.7 43.8 0.2 CD1 A:LEU17 3.9 23.8 1.0 C5 A:T4A128 4.1 45.5 0.2 CE A:LYS15 4.1 47.4 1.0 C6 A:T4A128 4.3 45.9 0.2 NZ A:LYS15 4.3 50.9 1.0 C3' A:T4A128 4.3 40.1 0.2 C1' A:T4A128 4.4 36.6 0.2 C7 A:T4A128 4.5 46.3 0.2 C1' A:T4A128 4.6 43.1 0.2 CD2 A:LEU17 4.7 23.0 1.0 C6' A:T4A128 4.7 42.7 0.2 CG A:LEU17 4.8 22.7 1.0 C2' A:T4A128 4.9 38.9 0.2

Iodine binding site 7 out of 16 in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:40.3 occ:0.18 I3' A:T4A128 0.0 40.3 0.2 C3' A:T4A128 2.1 42.2 0.2 I5 A:T4A128 2.2 30.9 0.2 C5 A:T4A128 2.7 30.9 0.2 C4' A:T4A128 3.0 42.4 0.2 C2' A:T4A128 3.0 42.8 0.2 O4' A:T4A128 3.2 43.2 0.2 C6 A:T4A128 3.3 30.4 0.2 C4 A:T4A128 3.5 30.7 0.2 N A:LEU110 3.7 21.0 1.0 O4 A:T4A128 3.8 33.3 0.2 O A:SER117 3.9 25.8 1.0 O A:ALA108 3.9 21.6 1.0 C A:ALA108 4.0 22.7 1.0 CB A:LEU110 4.0 20.0 1.0 C A:ALA109 4.0 20.2 1.0 N A:ALA109 4.0 20.8 1.0 CA A:ALA109 4.1 20.2 1.0 CB A:ALA108 4.1 23.0 1.0 OG A:SER117 4.2 33.0 1.0 CG2 A:THR119 4.3 28.4 1.0 O8 A:T4A128 4.3 30.0 0.2 C5' A:T4A128 4.3 42.7 0.2 C1 A:T4A128 4.4 30.3 0.2 C1' A:T4A128 4.4 43.1 0.2 CA A:LEU110 4.4 19.5 1.0 N A:THR119 4.5 23.8 1.0 C3 A:T4A128 4.5 30.3 0.2 C A:SER117 4.5 25.4 1.0 CA A:THR118 4.6 23.1 1.0 O A:ALA109 4.7 21.2 1.0 CA A:ALA108 4.7 22.0 1.0 CB A:THR119 4.8 25.3 1.0 C A:THR118 4.8 25.3 1.0 N A:THR118 4.9 24.9 1.0 C2 A:T4A128 4.9 29.6 0.2 C6' A:T4A128 4.9 42.7 0.2

Iodine binding site 8 out of 16 in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:45.4 occ:0.22 I3' A:T4A128 0.0 45.4 0.2 I5 A:T4A128 1.7 47.0 0.2 C3' A:T4A128 2.1 40.1 0.2 C6 A:T4A128 2.1 45.9 0.2 C5 A:T4A128 2.1 45.5 0.2 C2' A:T4A128 3.0 38.9 0.2 C4' A:T4A128 3.0 40.2 0.2 O4' A:T4A128 3.2 39.5 0.2 C4 A:T4A128 3.5 45.0 0.2 C1 A:T4A128 3.5 45.9 0.2 O8 A:T4A128 3.8 46.2 0.2 O4 A:T4A128 4.2 43.8 0.2 CG2 A:THR106 4.3 25.2 1.0 C7 A:T4A128 4.3 46.3 0.2 C5' A:T4A128 4.3 39.4 0.2 C1' A:T4A128 4.4 36.6 0.2 C3 A:T4A128 4.4 45.3 0.2 C2 A:T4A128 4.4 45.8 0.2 C8 A:T4A128 4.5 46.3 0.2 CG A:LYS15 4.8 38.1 1.0 CB A:LYS15 4.9 30.0 1.0 C6' A:T4A128 4.9 38.1 0.2 C1' A:T4A128 5.0 43.1 0.2

Iodine binding site 9 out of 16 in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) within 5.0Å range: probe atom residue distance (Å) B Occ B:I129 b:25.0 occ:0.20 I3 B:T4A129 0.0 25.0 0.2 I3' B:T4A129 1.5 32.4 0.2 C3' B:T4A129 1.9 33.9 0.2 C2' B:T4A129 2.1 34.3 0.2 C3 B:T4A129 2.1 25.6 0.2 C2 B:T4A129 3.0 25.4 0.2 C4 B:T4A129 3.0 25.7 0.2 C4' B:T4A129 3.1 33.6 0.2 O4 B:T4A129 3.2 26.1 0.2 C1' B:T4A129 3.5 34.6 0.2 C B:ALA309 3.5 22.3 1.0 N B:ALA309 3.5 21.8 1.0 N B:LEU310 3.5 22.4 1.0 CB B:ALA308 3.6 24.8 1.0 C B:ALA308 3.7 22.8 1.0 CA B:ALA309 3.8 23.1 1.0 O B:ALA309 3.8 23.1 1.0 O4' B:T4A129 3.8 34.2 0.2 CB B:LEU310 3.9 22.5 1.0 O B:ALA308 4.0 23.4 1.0 C1' B:T4A129 4.0 26.7 0.2 CA B:LEU310 4.1 21.0 1.0 C5' B:T4A129 4.1 33.7 0.2 CA B:ALA308 4.2 24.0 1.0 O4 B:T4A129 4.3 35.5 0.2 C1 B:T4A129 4.3 25.7 0.2 C5 B:T4A129 4.3 26.1 0.2 C6' B:T4A129 4.3 34.1 0.2 C6' B:T4A129 4.5 27.3 0.2 O B:SER317 4.5 27.4 1.0 CG2 B:THR319 4.6 25.1 1.0 C6 B:T4A129 4.9 25.9 0.2 C2' B:T4A129 4.9 27.3 0.2 O8 B:T4A129 5.0 25.8 0.2 CD1 B:LEU217 5.0 30.8 1.0

Iodine binding site 10 out of 16 in the Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Human Transthyretin (Also Called Prealbumin) Complex with 3, 3',5,5'- Tetraiodothyroacetic Acid (T4AC) within 5.0Å range: probe atom residue distance (Å) B Occ B:I129 b:37.6 occ:0.17 I3 B:T4A129 0.0 37.6 0.2 I5' B:T4A129 1.2 30.1 0.2 C5' B:T4A129 2.0 27.7 0.2 C3 B:T4A129 2.1 36.5 0.2 C6' B:T4A129 2.4 27.3 0.2 C2 B:T4A129 3.0 36.6 0.2 C4 B:T4A129 3.0 36.1 0.2 O4 B:T4A129 3.2 35.5 0.2 CD1 B:LEU217 3.2 30.8 1.0 C4' B:T4A129 3.3 28.0 0.2 C1' B:T4A129 3.7 34.6 0.2 C6' B:T4A129 3.7 34.1 0.2 C1' B:T4A129 3.8 26.7 0.2 O4' B:T4A129 3.8 27.6 0.2 C5 B:T4A129 4.3 36.4 0.2 C1 B:T4A129 4.3 36.3 0.2 C3' B:T4A129 4.3 28.1 0.2 CG B:LEU217 4.6 31.5 1.0 C2' B:T4A129 4.6 27.3 0.2 C2' B:T4A129 4.7 34.3 0.2 O4 B:T4A129 4.7 26.1 0.2 C4 B:T4A129 4.8 25.7 0.2 C5 B:T4A129 4.8 26.1 0.2 C5' B:T4A129 4.8 33.7 0.2 C6 B:T4A129 4.9 36.5 0.2 CD2 B:LEU217 5.0 31.7 1.0 I5 B:T4A129 5.0 26.6 0.2

P.Neumann, V.Cody, A.Wojtczak. Ligand Binding at the Transthyretin Dimer-Dimer Interface: Structure of the Transthyretin-T4AC Complex at 2.2 Angstrom Resolution. Acta Crystallogr.,Sect.D V. 61 1313 2005.
ISSN: ISSN 0907-4449
PubMed: 16204882
DOI: 10.1107/S0907444905022523