Sodium in PDB 3tok: Assaying the Energies of Biological Halogen Bonds.

The structure of Assaying the Energies of Biological Halogen Bonds., PDB code: 3tok was solved by M.Carter, P.S.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.74
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.360, 24.600, 37.410, 90.00, 110.76, 90.00
R / Rfree (%)	23.4 / 29.1

The binding sites of Sodium atom in the Assaying the Energies of Biological Halogen Bonds. (pdb code 3tok). 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 Assaying the Energies of Biological Halogen Bonds., PDB code: 3tok:

Sodium binding site 1 out of 1 in the Assaying the Energies of Biological Halogen Bonds.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Assaying the Energies of Biological Halogen Bonds. within 5.0Å range: probe atom residue distance (Å) B Occ B:Na101 b:4.8 occ:1.00 O B:HOH240 2.7 1.0 1.0 O B:HOH204 2.7 1.0 1.0 O2 B:DC12 2.9 1.0 0.8 O B:HOH208 3.0 1.5 1.0 O B:HOH238 3.0 9.6 1.0 O4' B:DG13 3.0 6.0 0.8 N3 B:DG13 3.3 1.1 0.8 O4' B:DC12 3.3 5.7 0.8 C1' B:DC12 3.6 2.9 0.8 C1' B:DG13 3.6 3.5 0.8 C4 B:DG13 3.6 1.0 0.8 N9 B:DG13 3.8 2.2 0.8 C2 B:DG13 3.9 1.0 0.8 C4' B:DC12 3.9 5.3 0.8 C2 B:DC12 4.0 1.0 0.8 C4' B:DG13 4.1 8.8 0.8 N2 B:DG19 4.1 10.2 0.2 O3' B:DC12 4.3 9.2 0.8 N2 B:DG13 4.3 1.0 0.8 N1 B:DC12 4.3 1.0 0.8 C5 B:DG13 4.6 1.0 0.8 C3' B:DC12 4.6 7.0 0.8 C2' B:DC12 4.8 5.0 0.8 N1 B:DG13 4.8 1.0 0.8 C8 B:DG13 4.8 1.0 0.8 O B:HOH215 4.8 8.9 1.0 O5' B:DG13 4.8 9.8 0.8

M.Carter, P.S.Ho. Assaying the Energies of Biological Halogen Bonds Cryst.Growth Des. V. 11 5087 2011.
ISSN: ISSN 1528-7483
DOI: 10.1021/CG200991V