Sodium in PDB 6grp: Crystal Structure of Human Transthyretin in Complex with 3,5,6- Trichloro-2-Pyridinol (TC2P)

The structure of Crystal Structure of Human Transthyretin in Complex with 3,5,6- Trichloro-2-Pyridinol (TC2P), PDB code: 6grp was solved by C.Grundstrom, J.Zhang, A.Olofsson, P.L.Andersson, A.E.Sauer-Eriksson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.28 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	85.430, 42.820, 64.771, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 18.7

The structure of Crystal Structure of Human Transthyretin in Complex with 3,5,6- Trichloro-2-Pyridinol (TC2P) also contains other interesting chemical elements:

Chlorine

(Cl)

12 atoms

The binding sites of Sodium atom in the Crystal Structure of Human Transthyretin in Complex with 3,5,6- Trichloro-2-Pyridinol (TC2P) (pdb code 6grp). 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 3,5,6- Trichloro-2-Pyridinol (TC2P), PDB code: 6grp:

Sodium binding site 1 out of 1 in the Crystal Structure of Human Transthyretin in Complex with 3,5,6- Trichloro-2-Pyridinol (TC2P)


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 3,5,6- Trichloro-2-Pyridinol (TC2P) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na203 b:49.6 occ:1.00 O A:ASP99 2.3 22.8 0.5 O A:ASP99 2.3 25.8 0.5 O A:HOH416 2.4 61.3 1.0 O A:HOH304 2.5 39.0 1.0 O A:HOH417 3.0 50.9 1.0 C A:ASP99 3.5 24.5 0.5 C A:ASP99 3.5 26.8 0.5 O A:HOH409 3.9 42.1 1.0 OE2 A:GLU66 4.0 25.2 1.0 CA A:ASP99 4.2 23.2 0.5 O A:HOH414 4.2 55.9 1.0 OD1 A:ASP99 4.2 37.0 0.5 CA A:ASP99 4.2 27.4 0.5 CG A:ASP99 4.3 35.5 0.5 CD A:GLU66 4.5 24.6 1.0 CB A:ASP99 4.5 24.3 0.5 N A:SER100 4.5 26.6 1.0 OD2 A:ASP99 4.6 36.7 0.5 OE1 A:GLU66 4.6 21.9 1.0 CB A:ASP99 4.7 31.6 0.5 CA A:SER100 4.7 29.5 1.0

J.Zhang, C.Grundstrom, K.Brannstrom, I.Iakovleva, M.Lindberg, A.Olofsson, P.L.Andersson, A.E.Sauer-Eriksson. Interspecies Variation Between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. Environ. Sci. Technol. V. 52 11865 2018.
ISSN: ISSN 1520-5851
PubMed: 30226982
DOI: 10.1021/ACS.EST.8B03581