Chlorine in PDB 5u49: Wild-Type Transthyretin in Complex with 5-[(1E)-2-(2-Chloro-4- Hydroxyphenyl)Ethenyl]-1,3-Benzenediol

The structure of Wild-Type Transthyretin in Complex with 5-[(1E)-2-(2-Chloro-4- Hydroxyphenyl)Ethenyl]-1,3-Benzenediol, PDB code: 5u49 was solved by I.W.Windsor, T.P.Smith, R.T.Raines, K.T.Forest, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.00 / 2.22
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	44.517, 65.895, 84.594, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 27.5

The binding sites of Chlorine atom in the Wild-Type Transthyretin in Complex with 5-[(1E)-2-(2-Chloro-4- Hydroxyphenyl)Ethenyl]-1,3-Benzenediol (pdb code 5u49). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Wild-Type Transthyretin in Complex with 5-[(1E)-2-(2-Chloro-4- Hydroxyphenyl)Ethenyl]-1,3-Benzenediol, PDB code: 5u49:

Chlorine binding site 1 out of 1 in the Wild-Type Transthyretin in Complex with 5-[(1E)-2-(2-Chloro-4- Hydroxyphenyl)Ethenyl]-1,3-Benzenediol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wild-Type Transthyretin in Complex with 5-[(1E)-2-(2-Chloro-4- Hydroxyphenyl)Ethenyl]-1,3-Benzenediol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl200 b:35.1 occ:0.50 CL1 A:S2L200 0.0 35.1 0.5 C14 A:S2L200 1.8 33.7 0.5 C13 A:S2L200 2.7 33.4 0.5 C09 A:S2L200 2.8 33.8 0.5 C08 A:S2L200 3.4 39.4 0.5 C07 A:S2L200 3.6 39.2 0.5 C10 A:S2L200 4.0 33.6 0.5 C12 A:S2L200 4.0 33.3 0.5 C11 A:S2L200 4.5 33.2 0.5 C04 A:S2L200 4.8 42.6 0.5

T.P.Smith, I.W.Windsor, K.T.Forest, R.T.Raines. Stilbene Boronic Acids Form A Covalent Bond with Human Transthyretin and Inhibit Its Aggregation. J. Med. Chem. V. 60 7820 2017.
ISSN: ISSN 1520-4804
PubMed: 28920684
DOI: 10.1021/ACS.JMEDCHEM.7B00952