Sodium in PDB 5boj: Crystal Structure of Human Transthyretin in Complex with Gemfibrozil

The structure of Crystal Structure of Human Transthyretin in Complex with Gemfibrozil, PDB code: 5boj was solved by A.Begum, 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)	21.35 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.685, 85.409, 63.624, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 21.2

The binding sites of Sodium atom in the Crystal Structure of Human Transthyretin in Complex with Gemfibrozil (pdb code 5boj). 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 Gemfibrozil, PDB code: 5boj:

Sodium binding site 1 out of 1 in the Crystal Structure of Human Transthyretin in Complex with Gemfibrozil


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 Gemfibrozil within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:45.7 occ:1.00 O A:ASP99 2.3 23.0 0.5 O A:ASP99 2.3 23.3 0.5 O A:HOH357 2.4 32.8 1.0 O A:HOH304 2.6 27.9 0.5 OD1 A:ASP99 2.7 37.0 0.5 O A:HOH308 3.2 46.2 1.0 C A:ASP99 3.5 29.8 0.5 C A:ASP99 3.5 29.8 0.5 OE2 A:GLU66 3.8 13.9 0.5 CG A:ASP99 3.9 32.5 0.5 HA A:SER100 4.0 26.2 1.0 HA A:ASP99 4.0 21.0 0.5 HA A:ASP99 4.0 21.0 0.5 HB2 A:ASP99 4.1 30.1 0.5 CA A:ASP99 4.3 17.5 0.5 CA A:ASP99 4.3 17.5 0.5 CD A:GLU66 4.4 17.3 0.5 OE1 A:GLU66 4.4 8.3 0.5 N A:SER100 4.5 20.4 1.0 CB A:ASP99 4.7 25.1 0.5 CA A:SER100 4.7 21.8 1.0 CB A:ASP99 4.7 25.1 0.5 OD2 A:ASP99 4.8 39.0 0.5

I.Iakovleva, K.Brannstrom, L.Nilsson, A.L.Gharibyan, A.Begum, I.Anan, M.Walfridsson, A.E.Sauer-Eriksson, A.Olofsson. Enthalpic Forces Correlate with the Selectivity of Transthyretin-Stabilizing Ligands in Human Plasma. J.Med.Chem. V. 58 6507 2015.
ISSN: ISSN 0022-2623
PubMed: 26214366
DOI: 10.1021/ACS.JMEDCHEM.5B00544