Iodine in PDB 1tha: Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin

The structure of Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin, PDB code: 1tha was solved by A.Wojtczak, J.Luft, V.Cody, 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 (°)	43.927, 86.653, 65.645, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iodine atom in the Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin (pdb code 1tha). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin, PDB code: 1tha:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin within 5.0Å range: probe atom residue distance (Å) B Occ A:I130 b:27.8 occ:0.50 I3 A:T33130 0.0 27.8 0.5 C3 A:T33130 2.1 28.0 0.5 C2 A:T33130 2.9 28.5 0.5 C4 A:T33130 3.1 27.0 0.5 O4 A:T33130 3.2 23.1 0.5 C1' A:T33130 3.8 21.3 0.5 C1 A:T33130 4.3 28.6 0.5 C2' A:T33130 4.3 19.9 0.5 C5 A:T33130 4.4 27.8 0.5 C6' A:T33130 4.4 9.5 0.5 C6 A:T33130 4.8 28.9 0.5

Iodine binding site 2 out of 4 in the Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin within 5.0Å range: probe atom residue distance (Å) B Occ A:I130 b:19.2 occ:0.50 I3' A:T33130 0.0 19.2 0.5 C3' A:T33130 2.2 19.5 0.5 C2' A:T33130 3.2 19.9 0.5 C4' A:T33130 3.2 17.6 0.5 O4' A:T33130 3.3 18.4 0.5 O A:SER117 3.4 16.1 1.0 OG A:SER117 3.6 15.3 1.0 C A:SER117 3.6 13.9 1.0 CA A:THR118 3.7 13.3 1.0 N A:THR118 3.8 13.1 1.0 O A:ALA108 3.8 10.2 1.0 CG2 A:THR119 3.8 7.2 1.0 N A:THR119 3.8 9.2 1.0 C A:THR118 3.9 13.0 1.0 N A:LEU110 4.1 10.7 1.0 CB A:LEU110 4.1 5.8 1.0 C A:ALA108 4.3 11.4 1.0 CA A:ALA109 4.3 9.1 1.0 CB A:THR119 4.3 6.0 1.0 C A:ALA109 4.4 9.6 1.0 CA A:SER117 4.5 12.5 1.0 CB A:SER117 4.5 11.7 1.0 N A:ALA109 4.5 9.5 1.0 C1' A:T33130 4.5 21.3 0.5 O A:THR118 4.6 14.3 1.0 C5' A:T33130 4.6 17.7 0.5 CB A:ALA108 4.7 11.0 1.0 CA A:THR119 4.7 9.5 1.0 CA A:LEU110 4.8 7.6 1.0

Iodine binding site 3 out of 4 in the Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin within 5.0Å range: probe atom residue distance (Å) B Occ B:I130 b:39.9 occ:0.50 I3 B:T33130 0.0 39.9 0.5 C3 B:T33130 2.1 40.5 0.5 C2 B:T33130 3.0 39.6 0.5 C4 B:T33130 3.1 39.9 0.5 O4 B:T33130 3.1 38.5 0.5 C1' B:T33130 3.8 38.8 0.5 C6' B:T33130 4.2 36.2 0.5 C1 B:T33130 4.3 37.9 0.5 C5 B:T33130 4.4 40.5 0.5 C2' B:T33130 4.5 38.4 0.5 C6 B:T33130 4.8 39.3 0.5

Iodine binding site 4 out of 4 in the Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo- L-Thyronine Binding to Human Serum Transthyretin within 5.0Å range: probe atom residue distance (Å) B Occ B:I130 b:37.2 occ:0.50 I3' B:T33130 0.0 37.2 0.5 C3' B:T33130 2.1 37.6 0.5 OG B:SER117 2.9 22.7 1.0 C2' B:T33130 3.1 38.4 0.5 C4' B:T33130 3.1 35.8 0.5 O B:SER117 3.2 16.1 1.0 O4' B:T33130 3.3 31.8 0.5 C B:SER117 3.3 16.3 1.0 N B:THR118 3.6 12.9 1.0 CA B:THR118 3.7 13.8 1.0 CB B:SER117 3.9 17.5 1.0 CB B:LEU110 3.9 11.7 1.0 C B:THR118 4.0 11.4 1.0 CA B:SER117 4.0 17.1 1.0 N B:LEU110 4.1 11.2 1.0 N B:THR119 4.2 9.6 1.0 O B:ALA108 4.4 16.1 1.0 C1' B:T33130 4.4 38.8 0.5 C5' B:T33130 4.5 36.2 0.5 CG2 B:THR119 4.5 14.8 1.0 CA B:ALA109 4.5 14.4 1.0 C B:ALA109 4.6 11.1 1.0 CB B:THR119 4.6 11.7 1.0 O B:THR118 4.6 11.2 1.0 CA B:LEU110 4.7 8.4 1.0 C B:ALA108 4.7 14.9 1.0 N B:ALA109 4.8 14.1 1.0 N B:SER117 4.9 14.7 1.0

A.Wojtczak, J.Luft, V.Cody. Mechanism of Molecular Recognition. Structural Aspects of 3,3'-Diiodo-L-Thyronine Binding to Human Serum Transthyretin. J.Biol.Chem. V. 267 353 1992.
ISSN: ISSN 0021-9258
PubMed: 1730601