Sodium in PDB 6zuk: Crystal Structure of Dimethylated Rsl-N23H/G68H (Rsl-B6) in Complex with Cucurbit[7]Uril and Zinc

The structure of Crystal Structure of Dimethylated Rsl-N23H/G68H (Rsl-B6) in Complex with Cucurbit[7]Uril and Zinc, PDB code: 6zuk was solved by F.Guagnini, S.Engilberge, R.J.Flood, K.O.Ramberg, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.72 / 2.03
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.482, 50.631, 74.807, 71.12, 83.15, 60.13
R / Rfree (%)	22 / 25.3

The structure of Crystal Structure of Dimethylated Rsl-N23H/G68H (Rsl-B6) in Complex with Cucurbit[7]Uril and Zinc also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Sodium atom in the Crystal Structure of Dimethylated Rsl-N23H/G68H (Rsl-B6) in Complex with Cucurbit[7]Uril and Zinc (pdb code 6zuk). 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 Dimethylated Rsl-N23H/G68H (Rsl-B6) in Complex with Cucurbit[7]Uril and Zinc, PDB code: 6zuk:

Sodium binding site 1 out of 1 in the Crystal Structure of Dimethylated Rsl-N23H/G68H (Rsl-B6) in Complex with Cucurbit[7]Uril and Zinc


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 Dimethylated Rsl-N23H/G68H (Rsl-B6) in Complex with Cucurbit[7]Uril and Zinc within 5.0Å range: probe atom residue distance (Å) B Occ C:Na106 b:26.4 occ:1.00 O03 C:QQ7101 2.5 16.1 1.0 O05 C:QQ7101 2.6 24.8 1.0 H14 C:QQ7101 2.7 30.9 1.0 C11 C:QQ7101 3.5 22.9 1.0 C16 C:QQ7101 3.6 24.1 1.0 C13 C:QQ7101 3.6 25.7 1.0 N07 C:QQ7101 4.0 24.6 1.0 N10 C:QQ7101 4.0 25.1 1.0 O C:HOH201 4.1 27.3 1.0 O C:HOH242 4.3 16.5 1.0 H13 C:QQ7101 4.4 30.9 1.0 H42 C:QQ7101 4.6 29.5 1.0 H7 C:QQ7101 4.6 31.4 1.0 N06 C:QQ7101 4.8 26.5 1.0 N13 C:QQ7101 4.8 24.0 1.0

F.Guagnini, S.Engilberge, R.J.Flood, K.O.Ramberg, P.B.Crowley. Metal-Mediated Protein-Cucurbituril Crystalline Architectures Cryst.Growth Des. 2020.
ISSN: ESSN 1528-7505
DOI: 10.1021/ACS.CGD.0C01023