Sodium in PDB 6yeo: Crystal Structure of Ampc From E. Coli with Cyclic Boronate 2

All present enzymatic activity of Crystal Structure of Ampc From E. Coli with Cyclic Boronate 2:
3.5.2.6;

The structure of Crystal Structure of Ampc From E. Coli with Cyclic Boronate 2, PDB code: 6yeo was solved by P.A.Lang, C.J.Schofield, J.Brem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.68 / 2.04
Space group	P 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	100.683, 179.590, 99.658, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.3

The structure of Crystal Structure of Ampc From E. Coli with Cyclic Boronate 2 also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Sodium atom in the Crystal Structure of Ampc From E. Coli with Cyclic Boronate 2 (pdb code 6yeo). 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 Ampc From E. Coli with Cyclic Boronate 2, PDB code: 6yeo:

Sodium binding site 1 out of 1 in the Crystal Structure of Ampc From E. Coli with Cyclic Boronate 2


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 Ampc From E. Coli with Cyclic Boronate 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na404 b:38.7 occ:1.00 NE2 A:HIS108 3.0 17.1 1.0 O A:HOH651 3.0 39.8 1.0 CE1 A:HIS108 3.7 19.6 1.0 O A:HOH740 3.8 24.3 1.0 CA A:GLY145 3.8 19.9 1.0 CD2 A:HIS108 4.1 17.4 1.0 CH2 A:TRP260 4.1 15.9 1.0 O A:PRO144 4.2 20.6 1.0 O A:HOH726 4.4 46.0 1.0 N A:GLY145 4.4 19.1 1.0 O A:HOH529 4.4 21.1 1.0 C A:PRO144 4.5 20.1 1.0 O A:GLY145 4.7 22.8 1.0 C A:GLY145 4.8 21.3 1.0 CZ2 A:TRP260 4.8 16.4 1.0 O A:HOH503 4.8 42.5 1.0 ND1 A:HIS108 4.9 18.6 1.0

P.A.Lang, A.Parkova, T.M.Leissing, K.Calvopina, R.Cain, A.Krajnc, T.D.Panduwawala, J.Philippe, C.W.G.Fishwick, P.Trapencieris, M.G.P.Page, C.J.Schofield, J.Brem. Bicyclic Boronates As Potent Inhibitors of Ampc, the Class C Beta-Lactamase From Escherichia Coli Biomolecules 2020.
ISSN: ESSN 2218-273X
DOI: 10.3390/BIOM10060899