Sodium in PDB 5en3: Crystal Structure of Human Transthyretin in Complex with Luteolin-Cl at 1.25 A Resolution

The structure of Crystal Structure of Human Transthyretin in Complex with Luteolin-Cl at 1.25 A Resolution, PDB code: 5en3 was solved by A.Begum, L.Nilsson, A.Olofsson, A.E.Sauer-Eriksson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.46 / 1.25
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.040, 85.625, 64.230, 90.00, 90.00, 90.00
R / Rfree (%)	13.4 / 15.8

The structure of Crystal Structure of Human Transthyretin in Complex with Luteolin-Cl at 1.25 A Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Sodium atom in the Crystal Structure of Human Transthyretin in Complex with Luteolin-Cl at 1.25 A Resolution (pdb code 5en3). 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 Crystal Structure of Human Transthyretin in Complex with Luteolin-Cl at 1.25 A Resolution, PDB code: 5en3:

Sodium binding site 1 out of 1 in the Crystal Structure of Human Transthyretin in Complex with Luteolin-Cl at 1.25 A 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 in Complex with Luteolin-Cl at 1.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:85.2 occ:1.00 O A:ASP99 2.2 28.1 1.0 O A:HOH365 2.3 48.6 1.0 O A:HOH303 2.4 49.4 1.0 O A:HOH406 2.9 52.8 1.0 O A:HOH403 3.0 58.5 1.0 C A:ASP99 3.4 27.3 1.0 HB2 A:ASP99 3.5 35.9 1.0 OE2 A:GLU66 3.9 20.4 0.5 HA A:SER100 3.9 38.6 1.0 HA A:ASP99 4.0 30.9 1.0 CA A:ASP99 4.1 25.8 1.0 O A:HOH394 4.2 57.9 1.0 CB A:ASP99 4.2 29.9 1.0 OE2 A:GLU66 4.3 30.2 0.5 N A:SER100 4.4 28.7 1.0 CD A:GLU66 4.6 20.7 0.5 CA A:SER100 4.6 32.2 1.0 OE1 A:GLU66 4.7 18.9 0.5 OE1 A:GLU66 4.7 29.3 0.5 CD A:GLU66 4.7 27.3 0.5 HB3 A:ASP99 4.9 35.9 1.0

L.Nilsson, A.Larsson, A.Begum, I.Iakovleva, M.Carlsson, K.Brannstrom, A.E.Sauer-Eriksson, A.Olofsson. Modifications of the 7-Hydroxyl Group of the Transthyretin Ligand Luteolin Provide Mechanistic Insights Into Its Binding Properties and High Plasma Specificity. Plos One V. 11 53112 2016.
ISSN: ESSN 1932-6203
PubMed: 27050398
DOI: 10.1371/JOURNAL.PONE.0153112