Sodium in PDB 8awi: Crystal Structure of Human Transthyretin at 1.15 Angstrom Resolution

The structure of Crystal Structure of Human Transthyretin at 1.15 Angstrom Resolution, PDB code: 8awi was solved by D.J.Derbyshire, P.Hammarstrom, E.Von Castelmur, A.Begum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.33 / 1.15
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	42.853, 64.325, 85.863, 90, 90, 90
R / Rfree (%)	14.8 / 16.6

The binding sites of Sodium atom in the Crystal Structure of Human Transthyretin at 1.15 Angstrom Resolution (pdb code 8awi). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human Transthyretin at 1.15 Angstrom Resolution, PDB code: 8awi:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Human Transthyretin at 1.15 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human Transthyretin at 1.15 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Na201 b:39.1 occ:1.00 O A:HOH323 2.2 34.0 1.0 O A:ASP99 2.3 27.4 1.0 O A:HOH376 2.6 42.0 1.0 O A:HOH381 2.7 40.5 1.0 C A:ASP99 3.5 25.2 1.0 OE1 A:GLU66 4.0 16.7 0.5 CA A:ASP99 4.1 24.7 1.0 O A:HOH366 4.3 33.2 1.0 CB A:ASP99 4.3 31.1 1.0 N A:SER100 4.5 26.4 1.0 CD A:GLU66 4.6 14.8 0.5 OE2 A:GLU66 4.7 13.5 0.5 CA A:SER100 4.8 29.5 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human Transthyretin at 1.15 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Human Transthyretin at 1.15 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Na201 b:51.0 occ:1.00 O B:HOH319 2.1 46.0 1.0 O B:HOH313 2.2 42.9 1.0 O B:HOH383 2.7 43.0 1.0 O B:HOH343 2.9 19.2 1.0 OD2 B:ASP74 3.1 25.2 0.6 CB B:SER77 3.5 20.8 1.0 NZ B:LYS48 3.7 40.7 0.5 CB B:ALA29 3.7 15.2 1.0 OG B:SER77 3.9 26.2 1.0 CG B:ASP74 4.0 19.5 0.6 O B:HOH374 4.1 29.3 1.0 O B:HOH355 4.3 55.6 1.0 CB B:ASP74 4.4 17.9 0.6 N B:ALA29 4.4 14.3 1.0 CB B:ASP74 4.5 16.8 0.4 CA B:ALA29 4.7 13.9 1.0 CE B:LYS48 4.8 39.0 0.5 O B:HOH384 4.8 36.7 1.0 CA B:SER77 5.0 17.9 1.0 OD2 B:ASP74 5.0 21.2 0.4

A.Begum, J.Zhang, D.Derbyshire, X.Wu, P.Konradsson, P.Hammarstrom, E.Von Castelmur. Transthyretin Binding Mode Dichotomy of Fluorescent Trans -Stilbene Ligands. Acs Chem Neurosci 2023.
ISSN: ESSN 1948-7193
PubMed: 36780206
DOI: 10.1021/ACSCHEMNEURO.2C00700