Sodium in PDB 8w46: X-Ray Crystal Structure of V30M-Ttr in Complex with Pterostilbene

The structure of X-Ray Crystal Structure of V30M-Ttr in Complex with Pterostilbene, PDB code: 8w46 was solved by T.Yokoyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.86 / 1.35
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.055, 84.753, 63.534, 90, 90, 90
R / Rfree (%)	16.4 / 18.8

The binding sites of Sodium atom in the X-Ray Crystal Structure of V30M-Ttr in Complex with Pterostilbene (pdb code 8w46). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the X-Ray Crystal Structure of V30M-Ttr in Complex with Pterostilbene, PDB code: 8w46:

Sodium binding site 1 out of 1 in the X-Ray Crystal Structure of V30M-Ttr in Complex with Pterostilbene


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Crystal Structure of V30M-Ttr in Complex with Pterostilbene within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:40.5 occ:1.00 O A:ASP99 2.3 36.9 1.0 O A:HOH377 2.5 49.8 1.0 C A:ASP99 3.5 36.8 1.0 OD2 A:ASP99 3.7 58.1 1.0 O A:HOH353 4.1 43.8 1.0 OE1 A:GLU66 4.1 31.7 1.0 CA A:ASP99 4.4 37.1 1.0 N A:SER100 4.4 36.4 1.0 CA A:SER100 4.5 37.7 1.0 CD A:GLU66 4.6 30.1 1.0 OE2 A:GLU66 4.6 29.5 1.0 CG A:ASP99 4.8 54.0 1.0 CB A:ASP99 5.0 45.8 1.0

T.Yokoyama, K.Kusaka, M.Mizuguchi, Y.Nabeshima, S.Fujiwara. Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights Into the Interactions Between Resveratrol Derivatives and Transthyretin. J.Med.Chem. 2023.
ISSN: ISSN 0022-2623
PubMed: 37910439
DOI: 10.1021/ACS.JMEDCHEM.3C01698