Sodium in PDB 9epl: Mpro From Sars-Cov-2 with 298Q Mutation

The structure of Mpro From Sars-Cov-2 with 298Q Mutation, PDB code: 9epl was solved by J.Plewka, K.Lis, A.Czarna, K.Pyrc, T.Kantyka, Y.Chykunova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.94 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.26, 53.1, 44.63, 90, 102.54, 90
R / Rfree (%)	14.8 / 22.8

The binding sites of Sodium atom in the Mpro From Sars-Cov-2 with 298Q Mutation (pdb code 9epl). 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 Mpro From Sars-Cov-2 with 298Q Mutation, PDB code: 9epl:

Sodium binding site 1 out of 1 in the Mpro From Sars-Cov-2 with 298Q Mutation


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Mpro From Sars-Cov-2 with 298Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ A:Na403 b:26.0 occ:0.50 O A:HOH514 2.9 46.1 1.0 HG A:SER284 2.9 30.0 0.0 HG A:LEU286 3.1 22.1 1.0 H A:ALA285 3.2 18.9 1.0 HA A:SER284 3.2 19.1 1.0 OG A:SER284 3.3 19.8 1.0 N A:ALA285 3.3 18.5 1.0 HB3 A:ALA285 3.4 18.8 1.0 H A:LEU286 3.4 18.5 1.0 CA A:SER284 3.9 18.1 1.0 N A:LEU286 4.0 17.5 1.0 CA A:ALA285 4.0 18.8 1.0 CG A:LEU286 4.0 22.2 1.0 CB A:SER284 4.0 20.4 1.0 C A:SER284 4.1 20.4 1.0 CB A:ALA285 4.1 18.7 1.0 C A:ALA285 4.3 19.5 1.0 HB2 A:SER284 4.3 20.2 1.0 HD23 A:LEU286 4.3 21.4 1.0 HD13 A:LEU286 4.4 22.9 1.0 HB2 A:ALA285 4.5 18.6 1.0 HD21 A:LEU286 4.5 21.3 1.0 CD2 A:LEU286 4.6 21.1 1.0 OE2 A:GLU288 4.6 21.3 0.5 CD1 A:LEU286 4.7 23.4 1.0 HD11 A:LEU286 4.7 23.0 1.0 HB1 A:ALA285 4.9 18.8 1.0 CB A:LEU286 4.9 22.2 1.0 HB3 A:SER284 4.9 19.8 1.0 HA A:ALA285 5.0 18.8 1.0 HB3 A:LEU286 5.0 21.6 1.0

K.Lis, J.Plewka, F.Menezes, E.Bielecka, Y.Chykunova, K.Pustelny, S.Niebling, A.S.Garcia, M.Garcia-Alai, G.M.Popowicz, A.Czarna, T.Kantyka, K.Pyrc. Sars-Cov-2 M Pro Oligomerization As A Potential Target For Therapy. Int.J.Biol.Macromol. 31392 2024.
ISSN: ISSN 0141-8130
PubMed: 38582483
DOI: 10.1016/J.IJBIOMAC.2024.131392