Sodium in PDB 5jiq: Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'- Tetrahydroxybenzophenone (BP2)

The structure of Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'- Tetrahydroxybenzophenone (BP2), PDB code: 5jiq was solved by A.Begum, J.Zhang, A.Olofsson, P.Andersson, A.E.Sauer-Eriksson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.37 / 1.45
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.943, 85.497, 64.191, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 16.8

The binding sites of Sodium atom in the Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'- Tetrahydroxybenzophenone (BP2) (pdb code 5jiq). 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 2,2',4,4'- Tetrahydroxybenzophenone (BP2), PDB code: 5jiq:

Sodium binding site 1 out of 1 in the Crystal Structure of Human Transthyretin in Complex with 2,2',4,4'- Tetrahydroxybenzophenone (BP2)


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 2,2',4,4'- Tetrahydroxybenzophenone (BP2) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:69.9 occ:1.00 O A:ASP99 2.3 33.8 1.0 O A:HOH368 2.3 37.8 1.0 O A:HOH306 2.5 39.7 1.0 C A:ASP99 3.5 32.6 1.0 HA A:SER100 3.8 42.4 1.0 HB2 A:ASP99 3.8 43.0 1.0 O A:HOH392 4.1 49.7 1.0 HA A:ASP99 4.2 37.0 1.0 OE2 A:GLU66 4.3 31.8 1.0 CA A:ASP99 4.3 30.9 1.0 N A:SER100 4.5 33.8 1.0 CB A:ASP99 4.5 35.9 1.0 CA A:SER100 4.6 35.4 1.0 CD A:GLU66 4.8 31.1 1.0 OE1 A:GLU66 4.8 32.0 1.0

J.Zhang, A.Begum, K.Brannstrom, C.Grundstrom, I.Iakovleva, A.Olofsson, A.E.Sauer-Eriksson, P.L.Andersson. Structure-Based Virtual Screening Protocol For in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin. Environ. Sci. Technol. V. 50 11984 2016.
ISSN: ISSN 1520-5851
PubMed: 27668830
DOI: 10.1021/ACS.EST.6B02771