Sodium in PDB 8udq: Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor 1

All present enzymatic activity of Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor 1:
3.4.22.69;

The structure of Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor 1, PDB code: 8udq was solved by F.Forouhar, H.Liu, A.Zack, S.Iketani, A.Williams, D.R.Vaz, D.L.Habashi, S.J.Resnick, A.Chavez, D.D.Ho, B.R.Stockwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.24 / 2.12
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	97.274, 80.979, 51.97, 90, 114.55, 90
R / Rfree (%)	17.4 / 21.7

The structure of Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor 1 also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Sodium atom in the Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor 1 (pdb code 8udq). 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 Sars-Cov-2 3CL Protease with Inhibitor 1, PDB code: 8udq:

Sodium binding site 1 out of 1 in the Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor 1


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 Sars-Cov-2 3CL Protease with Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na402 b:54.9 occ:0.50 O A:LYS5 4.0 49.3 1.0 O A:VAL125 4.0 47.8 1.0 CA A:TYR126 4.5 41.6 1.0 CB A:TYR126 4.7 48.2 1.0 C A:VAL125 5.0 43.5 1.0

H.Liu, A.Zack, F.Forouhar, S.Iketani, A.Williams, D.R.Vaz, D.L.Habashi, K.Choi, S.J.Resnick, A.Chavez, D.D.Ho, B.R.Stockwell. Development of Small Molecule Non-Covalent Coronavirus 3CL Protease Inhibitors From Dna-Encoded Chemical Library Screening To Be Published.