Chlorine 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:

Iodine	(I)	4 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Wild-Type Transthyretin in Complex with Rafoxanide, PDB code: 8ig1:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl201 b:23.8 occ:0.40 CLAZ A:OX9201 0.0 23.8 0.4 CAL A:OX9201 1.8 19.2 0.4 CAN A:OX9201 2.7 20.9 0.4 CAJ A:OX9201 2.8 22.0 0.4 OAO A:OX9201 2.8 24.1 0.4 CD1 A:LEU17 3.7 23.5 1.0 CAP A:OX9201 4.0 23.9 0.4 CAM A:OX9201 4.0 23.4 0.4 CAI A:OX9201 4.1 22.4 0.4 CAK A:OX9201 4.5 23.1 0.4 CAQ A:OX9201 4.5 18.6 0.4 CD2 A:LEU17 4.6 20.7 1.0 CG A:LEU17 4.7 18.9 1.0 CAR A:OX9201 5.0 19.6 0.4

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl201 b:24.2 occ:0.40 CLBA A:OX9201 0.0 24.2 0.4 CAU A:OX9201 1.7 21.7 0.4 CAS A:OX9201 2.7 17.9 0.4 CAT A:OX9201 2.7 21.8 0.4 CG A:PRO24 3.8 21.7 1.0 CAQ A:OX9201 4.0 18.6 0.4 CAR A:OX9201 4.0 19.6 0.4 CA A:SER52 4.0 20.8 1.0 CD A:PRO24 4.1 17.3 1.0 O A:GLU51 4.2 24.7 1.0 CB A:SER52 4.4 25.4 1.0 CAP A:OX9201 4.5 23.9 0.4 O A:SER52 4.5 20.1 1.0 CB A:PRO24 4.6 17.9 1.0 C A:SER52 4.6 18.8 1.0 N A:SER52 4.9 21.5 1.0 C A:GLU51 5.0 23.2 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl201 b:46.9 occ:0.40 CLAZ B:OX9201 0.0 46.9 0.4 CAL B:OX9201 1.7 31.6 0.4 CAN B:OX9201 2.7 36.0 0.4 CAJ B:OX9201 2.7 36.5 0.4 OAO B:OX9201 2.8 38.7 0.4 CG2 B:VAL121 3.4 35.7 1.0 CAP B:OX9201 3.9 39.8 0.4 CB B:VAL121 3.9 32.0 1.0 CAM B:OX9201 4.0 39.8 0.4 CAI B:OX9201 4.0 38.1 0.4 CG2 B:THR106 4.1 23.5 1.0 CB B:ALA108 4.1 21.0 1.0 CAR B:OX9201 4.2 37.7 0.4 CAK B:OX9201 4.5 40.5 0.4 CB B:THR106 4.5 21.9 1.0 N B:VAL121 4.7 19.6 1.0 CG2 B:THR119 4.7 23.8 0.5 O B:THR106 4.8 21.1 1.0 OAV B:OX9201 4.9 37.7 0.4 CA B:VAL121 4.9 25.4 1.0 CG1 B:VAL121 4.9 33.6 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl201 b:38.8 occ:0.40 CLBA B:OX9201 0.0 38.8 0.4 CAU B:OX9201 1.7 32.4 0.4 CAS B:OX9201 2.7 40.0 0.4 CAT B:OX9201 2.7 33.2 0.4 CG2 B:THR123 4.0 59.2 1.0 CAQ B:OX9201 4.0 37.0 0.4 CAR B:OX9201 4.0 37.7 0.4 CAP B:OX9201 4.5 39.8 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