Sodium in PDB 6f7w: Crystal Structure of Dimethylated Rsl - Cucurbit[7]Uril Complex, C2221 Form

The structure of Crystal Structure of Dimethylated Rsl - Cucurbit[7]Uril Complex, C2221 Form, PDB code: 6f7w was solved by F.Guagnini, M.L.Rennie, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.60 / 1.28
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	50.343, 87.176, 146.595, 90.00, 90.00, 90.00
R / Rfree (%)	12.4 / 15.1

The binding sites of Sodium atom in the Crystal Structure of Dimethylated Rsl - Cucurbit[7]Uril Complex, C2221 Form (pdb code 6f7w). 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 - Cucurbit[7]Uril Complex, C2221 Form, PDB code: 6f7w:

Sodium binding site 1 out of 1 in the Crystal Structure of Dimethylated Rsl - Cucurbit[7]Uril Complex, C2221 Form


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 - Cucurbit[7]Uril Complex, C2221 Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Na104 b:13.8 occ:1.00 O B:QQ7101 2.4 14.2 1.0 O06 B:QQ7101 2.6 18.5 1.0 C35 B:QQ7101 3.5 12.8 1.0 C17 B:QQ7101 3.6 15.1 1.0 C41 B:QQ7101 3.7 14.0 1.0 N B:QQ7101 4.0 13.7 1.0 N14 B:QQ7101 4.1 13.7 1.0 O B:HOH207 4.4 0.5 1.0 N25 B:QQ7101 4.7 14.8 1.0 N09 B:QQ7101 4.9 16.8 1.0

F.Guagnini, P.M.Antonik, M.L.Rennie, P.O'byrne, A.R.Khan, R.Pinalli, E.Dalcanale, P.B.Crowley. Cucurbit[7]Uril-Dimethyllysine Recognition in A Model Protein. Angew. Chem. Int. Ed. Engl. V. 57 7126 2018.
ISSN: ESSN 1521-3773
PubMed: 29673020
DOI: 10.1002/ANIE.201803232