Iodine in PDB 8ig1: Crystal Structure of Wild-Type Transthyretin in Complex with Rafoxanide

The structure of Crystal Structure of Wild-Type Transthyretin in Complex with Rafoxanide, PDB code: 8ig1 was solved by T.Yokoyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.41 / 1.45
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.71, 84.825, 64.326, 90, 90, 90
R / Rfree (%)	17 / 19.3

The structure of Crystal Structure of Wild-Type Transthyretin in Complex with Rafoxanide also contains other interesting chemical elements:

Chlorine	(Cl)	4 atoms
Sodium	(Na)	2 atoms

The binding sites of Iodine atom in the Crystal Structure of Wild-Type Transthyretin in Complex with Rafoxanide (pdb code 8ig1). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of Wild-Type Transthyretin in Complex with Rafoxanide, PDB code: 8ig1:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Crystal Structure of Wild-Type Transthyretin in Complex with Rafoxanide


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 Wild-Type Transthyretin in Complex with Rafoxanide within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:35.4 occ:0.40 IAW A:OX9201 0.0 35.4 0.4 CAE A:OX9201 2.1 23.7 0.4 CAF A:OX9201 2.9 21.7 0.4 CAC A:OX9201 3.1 21.6 0.4 O A:THR119 3.4 16.7 1.0 CG2 A:THR119 3.4 24.6 0.5 CB A:ALA108 3.5 19.9 1.0 C A:THR119 3.7 15.7 1.0 O A:THR106 3.8 17.3 1.0 CG2 A:VAL121 3.8 22.2 1.0 N A:VAL121 3.8 14.7 1.0 N A:ALA108 3.8 15.7 1.0 C A:ALA120 4.0 15.2 1.0 OG1 A:THR119 4.0 25.6 0.5 CB A:THR119 4.1 17.3 0.5 N A:ALA120 4.1 16.3 1.0 CA A:ALA120 4.1 16.3 1.0 CB A:THR119 4.2 22.3 0.5 CAD A:OX9201 4.2 20.8 0.4 CA A:ALA108 4.3 16.0 1.0 CB A:VAL121 4.3 19.8 1.0 CAA A:OX9201 4.4 23.0 0.4 CA A:THR119 4.5 16.3 0.5 CA A:THR119 4.5 18.1 0.5 C A:THR106 4.5 15.3 1.0 CG2 A:THR119 4.6 18.1 0.5 CG2 A:THR106 4.6 19.8 1.0 C A:ILE107 4.6 15.8 1.0 O A:HOH313 4.6 28.0 1.0 O A:ALA120 4.7 17.6 1.0 CA A:VAL121 4.7 15.5 1.0 CAB A:OX9201 4.8 22.5 0.4 CA A:ILE107 4.9 15.6 1.0 CB A:THR106 4.9 18.3 1.0

Iodine binding site 2 out of 4 in the Crystal Structure of Wild-Type Transthyretin in Complex with Rafoxanide


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 Wild-Type Transthyretin in Complex with Rafoxanide within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:40.5 occ:0.40 IAX A:OX9201 0.0 40.5 0.4 CAD A:OX9201 2.1 20.8 0.4 CAF A:OX9201 2.9 21.7 0.4 CAB A:OX9201 3.1 22.5 0.4 OAY A:OX9201 3.3 24.1 0.4 O A:HOH396 3.7 52.6 1.0 O A:HOH344 3.9 51.3 1.0 CG2 A:THR106 4.1 19.8 1.0 OG1 A:THR106 4.1 22.7 1.0 CAE A:OX9201 4.2 23.7 0.4 CB A:THR106 4.3 18.3 1.0 CAA A:OX9201 4.4 23.0 0.4 CAC A:OX9201 4.8 21.6 0.4 CB A:VAL121 4.9 19.8 1.0

Iodine binding site 3 out of 4 in the Crystal Structure of Wild-Type Transthyretin in Complex with Rafoxanide


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 Wild-Type Transthyretin in Complex with Rafoxanide within 5.0Å range: probe atom residue distance (Å) B Occ B:I201 b:54.1 occ:0.40 IAW B:OX9201 0.0 54.1 0.4 CAE B:OX9201 2.1 41.4 0.4 CAF B:OX9201 3.0 38.9 0.4 CAC B:OX9201 3.0 35.7 0.4 CD1 B:LEU17 4.0 25.8 1.0 CAD B:OX9201 4.3 35.8 0.4 CAA B:OX9201 4.3 36.5 0.4 CAB B:OX9201 4.8 38.6 0.4

Iodine binding site 4 out of 4 in the Crystal Structure of Wild-Type Transthyretin in Complex with Rafoxanide


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 Wild-Type Transthyretin in Complex with Rafoxanide within 5.0Å range: probe atom residue distance (Å) B Occ B:I201 b:65.4 occ:0.40 IAX B:OX9201 0.0 65.4 0.4 CAD B:OX9201 2.1 35.8 0.4 CAF B:OX9201 3.0 38.9 0.4 CAB B:OX9201 3.1 38.6 0.4 OAY B:OX9201 3.2 41.1 0.4 NZ B:LYS15 3.5 41.7 1.0 CAE B:OX9201 4.3 41.4 0.4 CAA B:OX9201 4.4 36.5 0.4 CE B:LYS15 4.4 37.9 1.0 CAC B:OX9201 4.9 35.7 0.4

T.Yokoyama, M.Mizuguchi, Y.Nabeshima, Y.Nakagawa, T.Okada, N.Toyooka, K.Kusaka. Rafoxanide, A Salicylanilide Anthelmintic, Interacts with Human Plasma Protein Transthyretin. Febs J. 2023.
ISSN: ISSN 1742-464X
PubMed: 37522420
DOI: 10.1111/FEBS.16915