Sodium in PDB 7pfl: The Sars-COV2 Major Protease (Mpro) Apo Structure to 1.8 A Resolution

The structure of The Sars-COV2 Major Protease (Mpro) Apo Structure to 1.8 A Resolution, PDB code: 7pfl was solved by M.Moche, L.Moodie, E.Strandback, T.Nyman, D.Akaberi, J.Lennerstrand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.76 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.741, 53.894, 44.731, 90, 101.16, 90
R / Rfree (%)	17.2 / 21.9

The binding sites of Sodium atom in the The Sars-COV2 Major Protease (Mpro) Apo Structure to 1.8 A Resolution (pdb code 7pfl). 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 Sars-COV2 Major Protease (Mpro) Apo Structure to 1.8 A Resolution, PDB code: 7pfl:

Sodium binding site 1 out of 1 in the The Sars-COV2 Major Protease (Mpro) Apo Structure to 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Sars-COV2 Major Protease (Mpro) Apo Structure to 1.8 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Na401 b:22.4 occ:1.00 NE2 A:HIS41 2.2 26.2 1.0 O A:HOH740 2.3 44.1 1.0 O A:HOH734 2.4 33.6 1.0 SG A:CYS145 2.4 31.2 1.0 O A:HOH753 3.0 49.9 1.0 CB A:CYS145 3.1 27.0 1.0 CD2 A:HIS41 3.1 26.3 1.0 CE1 A:HIS41 3.2 24.3 1.0 O A:HOH611 3.6 33.9 1.0 O A:HIS164 4.1 20.5 1.0 CG A:HIS41 4.3 21.9 1.0 ND1 A:HIS41 4.3 24.6 1.0 CD2 A:LEU27 4.4 25.7 1.0 O A:HOH768 4.5 48.6 1.0 CA A:CYS145 4.6 18.9 1.0 N A:CYS145 4.9 19.6 1.0 O A:HOH749 5.0 49.9 1.0

M.Moche, L.Moodie, E.Strandback, T.Nyman, D.Akaberi, J.Lennerstrand. The Sars-COV2 Major Protease (Mpro) in Complex with A Non-Covalent Inhibitory Ligand at 2 A Resolution To Be Published.