Sodium in PDB 7xq7: The Complex Structure of Wt-Mpro

All present enzymatic activity of The Complex Structure of Wt-Mpro:
3.4.22.69;

The structure of The Complex Structure of Wt-Mpro, PDB code: 7xq7 was solved by P.Sahoo, D.R.Lenka, A.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.71 / 2.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.259, 53.904, 44.684, 90, 101.09, 90
R / Rfree (%)	20.9 / 23.9

The binding sites of Sodium atom in the The Complex Structure of Wt-Mpro (pdb code 7xq7). 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 The Complex Structure of Wt-Mpro, PDB code: 7xq7:

Sodium binding site 1 out of 1 in the The Complex Structure of Wt-Mpro


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Complex Structure of Wt-Mpro within 5.0Å range: probe atom residue distance (Å) B Occ A:Na401 b:32.2 occ:0.50 OG A:SER284 3.5 42.6 1.0 N A:ALA285 3.6 39.4 1.0 CG A:LEU286 3.7 44.7 1.0 CD2 A:LEU286 3.8 41.9 1.0 CA A:SER284 4.2 42.5 1.0 CD1 A:LEU286 4.3 45.1 1.0 CB A:SER284 4.4 39.0 1.0 C A:SER284 4.4 41.9 1.0 N A:LEU286 4.4 39.9 1.0 CA A:ALA285 4.4 41.5 1.0 CB A:ALA285 4.4 40.6 1.0 C A:ALA285 4.7 42.5 1.0 CB A:LEU286 4.8 39.2 1.0 OE1 A:GLU288 5.0 36.1 0.5

P.Sahoo, D.R.Lenka, M.Batabyal, P.K.Pain, S.Kumar, D.Manna, A.Kumar. Detailed Insights Into the Inhibitory Mechanism of New Ebselen Derivatives Against Main Protease (M Pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (Sars-Cov-2). Acs Pharmacol Transl Sci V. 6 171 2023.
ISSN: ESSN 2575-910
PubMed: 36650888
DOI: 10.1021/ACSPTSCI.2C00203