Sodium in PDB 6zyr: Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B

All present enzymatic activity of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B:
3.5.2.6;

The structure of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B, PDB code: 6zyr was solved by P.Hinchliffe, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.96 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.555, 78.003, 261.107, 90, 90, 90
R / Rfree (%)	18.3 / 21.9

The structure of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B also contains other interesting chemical elements:

Zinc

(Zn)

8 atoms

The binding sites of Sodium atom in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B (pdb code 6zyr). 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 Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B, PDB code: 6zyr:

Sodium binding site 1 out of 1 in the Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Imp-1 with 2-Mercaptomethyl-Thiazolidine L-Anti-1B within 5.0Å range: probe atom residue distance (Å) B Occ B:Na308 b:46.5 occ:1.00 OH B:TYR17 2.6 50.5 1.0 O B:HOH492 3.5 47.8 1.0 OH B:TYR68 3.7 25.6 1.0 CZ B:TYR17 3.9 41.5 1.0 CZ B:TYR68 4.4 23.4 1.0 CE2 B:TYR17 4.6 40.8 1.0 O B:HOH431 4.7 36.1 1.0 CE2 B:TYR68 4.7 21.9 1.0 CE1 B:TYR17 4.8 34.5 1.0 CD1 B:LEU39 5.0 27.3 1.0

M.Rossi, V.Martinez, P.Hinchliffe, M.F.Mojica, V.Castillo, D.M.Moreno, R.Smith, B.Spellberg, G.L.Drusano, C.Banchio, R.A.Bonomo, J.Spencer, A.J.Vila, G.Mahler. 2-Mercaptomethyl-Thiazolidines Use Conserved Aromatic-S Interactions to Achieve Broad-Range Inhibition of Metallo-Beta-Lactamases Chem Sci 2021.
ISSN: ESSN 2041-6539
DOI: 10.1039/D0SC05172A