Iodine in PDB 2rox: Transthyretin (Also Called Prealbumin) Complex with Thyroxine (T4)

The structure of Transthyretin (Also Called Prealbumin) Complex with Thyroxine (T4), PDB code: 2rox was solved by A.Wojtczak, V.Cody, J.R.Luft, W.Pangborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.410, 85.992, 65.552, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

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

Iodine binding site 1 out of 8 in the Transthyretin (Also Called Prealbumin) 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 Transthyretin (Also Called Prealbumin) Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:50.6 occ:0.50 I3 A:T44128 0.0 50.6 0.5 C3 A:T44128 2.1 48.3 0.5 C2 A:T44128 3.0 47.4 0.5 C4 A:T44128 3.0 48.0 0.5 CD1 A:LEU17 3.2 13.9 1.0 O4 A:T44128 3.2 47.3 0.5 C1' A:T44128 3.9 46.8 0.5 CE A:LYS15 4.0 22.0 1.0 CD2 A:LEU17 4.2 14.5 1.0 CG A:LEU17 4.2 14.9 1.0 C2' A:T44128 4.3 46.0 0.5 C5 A:T44128 4.3 47.8 0.5 C1 A:T44128 4.3 46.3 0.5 NZ A:LYS15 4.5 23.0 1.0 O A:HOH130 4.6 26.4 1.0 C6 A:T44128 4.8 47.0 0.5 C6' A:T44128 4.9 46.9 0.5

Iodine binding site 2 out of 8 in the Transthyretin (Also Called Prealbumin) 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 Transthyretin (Also Called Prealbumin) Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:43.7 occ:0.50 I3' A:T44128 0.0 43.7 0.5 C3' A:T44128 2.1 45.6 0.5 C2' A:T44128 2.9 46.0 0.5 C4' A:T44128 3.1 46.0 0.5 O4' A:T44128 3.2 46.2 0.5 C1' A:T44128 4.2 46.8 0.5 C5' A:T44128 4.3 46.7 0.5 C6' A:T44128 4.8 46.9 0.5

Iodine binding site 3 out of 8 in the Transthyretin (Also Called Prealbumin) 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 Transthyretin (Also Called Prealbumin) Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:49.2 occ:0.50 I5 A:T44128 0.0 49.2 0.5 C5 A:T44128 2.1 47.8 0.5 C6 A:T44128 2.9 47.0 0.5 C4 A:T44128 3.1 48.0 0.5 O4 A:T44128 3.3 47.3 0.5 C1' A:T44128 3.7 46.8 0.5 CG2 A:THR106 4.0 17.7 1.0 C2' A:T44128 4.0 46.0 0.5 CB A:ALA108 4.1 12.6 1.0 C1 A:T44128 4.2 46.3 0.5 C3 A:T44128 4.3 48.3 0.5 C6' A:T44128 4.4 46.9 0.5 CG2 A:VAL121 4.5 14.0 1.0 C2 A:T44128 4.8 47.4 0.5 CG A:LYS15 4.9 20.1 1.0 C3' A:T44128 5.0 45.6 0.5

Iodine binding site 4 out of 8 in the Transthyretin (Also Called Prealbumin) 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 Transthyretin (Also Called Prealbumin) Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:47.8 occ:0.50 I5' A:T44128 0.0 47.8 0.5 C5' A:T44128 2.1 46.7 0.5 C4' A:T44128 3.0 46.0 0.5 C6' A:T44128 3.1 46.9 0.5 O4' A:T44128 3.2 46.2 0.5 CB A:LEU110 3.5 12.3 1.0 N A:LEU110 3.5 13.1 1.0 C A:ALA109 3.8 11.7 1.0 O A:SER117 3.9 15.8 1.0 O A:ALA108 4.1 13.9 1.0 CA A:LEU110 4.1 12.3 1.0 CA A:ALA109 4.1 10.5 1.0 C A:ALA108 4.2 12.8 1.0 N A:ALA109 4.2 12.3 1.0 C3' A:T44128 4.3 45.6 0.5 CB A:ALA108 4.4 12.6 1.0 O A:ALA109 4.4 13.7 1.0 C1' A:T44128 4.4 46.8 0.5 C A:SER117 4.5 14.5 1.0 CG2 A:THR119 4.6 14.6 1.0 OG A:SER117 4.7 15.3 1.0 CG A:LEU110 4.8 12.3 1.0 CB A:SER117 4.8 14.3 1.0 C2' A:T44128 4.9 46.0 0.5 CA A:THR118 4.9 14.4 1.0 N A:THR118 4.9 14.6 1.0 CA A:ALA108 5.0 13.4 1.0

Iodine binding site 5 out of 8 in the Transthyretin (Also Called Prealbumin) 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 Transthyretin (Also Called Prealbumin) Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I128 b:42.0 occ:0.50 I3 B:T44128 0.0 42.0 0.5 C3 B:T44128 2.1 41.2 0.5 C4 B:T44128 3.0 41.2 0.5 C2 B:T44128 3.0 40.8 0.5 O4 B:T44128 3.1 41.4 0.5 CD1 B:LEU17 3.2 19.2 1.0 C1' B:T44128 3.6 41.5 0.5 C2' B:T44128 3.8 41.3 0.5 C5 B:T44128 4.3 41.0 0.5 C1 B:T44128 4.3 40.3 0.5 O B:HOH148 4.4 31.9 1.0 CG B:LEU17 4.5 18.2 1.0 C6' B:T44128 4.5 41.9 0.5 C6 B:T44128 4.8 40.8 0.5 CE B:LYS15 4.8 25.4 1.0 C3' B:T44128 4.8 41.2 0.5 CD2 B:LEU17 5.0 18.8 1.0

Iodine binding site 6 out of 8 in the Transthyretin (Also Called Prealbumin) 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 Transthyretin (Also Called Prealbumin) Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I128 b:40.3 occ:0.50 I3' B:T44128 0.0 40.3 0.5 C3' B:T44128 2.1 41.2 0.5 C2' B:T44128 3.0 41.3 0.5 C4' B:T44128 3.0 41.5 0.5 O4' B:T44128 3.2 41.1 0.5 C1' B:T44128 4.3 41.5 0.5 C5' B:T44128 4.3 42.0 0.5 C6' B:T44128 4.8 41.9 0.5

Iodine binding site 7 out of 8 in the Transthyretin (Also Called Prealbumin) 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 Transthyretin (Also Called Prealbumin) Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I128 b:41.5 occ:0.50 I5 B:T44128 0.0 41.5 0.5 C5 B:T44128 2.1 41.0 0.5 C6 B:T44128 3.0 40.8 0.5 C4 B:T44128 3.1 41.2 0.5 O4 B:T44128 3.3 41.4 0.5 C1' B:T44128 3.9 41.5 0.5 CG2 B:THR106 4.1 23.8 1.0 C1 B:T44128 4.3 40.3 0.5 C2' B:T44128 4.3 41.3 0.5 C3 B:T44128 4.3 41.2 0.5 CB B:ALA108 4.5 15.5 1.0 C6' B:T44128 4.6 41.9 0.5 CG B:LYS15 4.7 22.4 1.0 CB B:LYS15 4.8 20.5 1.0 CG2 B:VAL121 4.9 20.4 1.0 C2 B:T44128 4.9 40.8 0.5 CB B:THR106 5.0 24.8 1.0

Iodine binding site 8 out of 8 in the Transthyretin (Also Called Prealbumin) 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 Transthyretin (Also Called Prealbumin) Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I128 b:43.6 occ:0.50 I5' B:T44128 0.0 43.6 0.5 C5' B:T44128 2.1 42.0 0.5 C4' B:T44128 3.0 41.5 0.5 C6' B:T44128 3.0 41.9 0.5 O4' B:T44128 3.2 41.1 0.5 N B:LEU110 3.7 13.5 1.0 CB B:ALA108 3.7 15.5 1.0 C B:ALA108 3.7 15.8 1.0 O B:ALA108 3.7 17.0 1.0 CG2 B:THR119 3.7 18.0 1.0 CB B:LEU110 3.8 14.4 1.0 N B:ALA109 3.8 15.8 1.0 C B:ALA109 3.9 14.4 1.0 O B:SER117 4.0 14.8 1.0 CA B:ALA109 4.0 14.6 1.0 OG B:SER117 4.0 20.8 1.0 C3' B:T44128 4.3 41.2 0.5 CA B:LEU110 4.3 13.0 1.0 C1' B:T44128 4.3 41.5 0.5 CA B:ALA108 4.4 16.3 1.0 N B:THR119 4.5 17.2 1.0 O B:ALA109 4.5 14.2 1.0 C B:SER117 4.6 15.8 1.0 CB B:THR119 4.7 17.2 1.0 CA B:THR118 4.7 17.1 1.0 C2' B:T44128 4.8 41.3 0.5 N B:THR118 5.0 15.1 1.0 C B:THR118 5.0 17.1 1.0

A.Wojtczak, V.Cody, J.R.Luft, W.Pangborn. Structures of Human Transthyretin Complexed with Thyroxine at 2.0 A Resolution and 3',5'-Dinitro-N-Acetyl-L-Thyronine at 2.2 A Resolution. Acta Crystallogr.,Sect.D V. 52 758 1996.
ISSN: ISSN 0907-4449
PubMed: 15299640
DOI: 10.1107/S0907444996003046