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Sodium in PDB 6xbg: Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW246

Enzymatic activity of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW246

All present enzymatic activity of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW246:
3.4.22.69;

Protein crystallography data

The structure of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW246, PDB code: 6xbg was solved by M.Sacco, C.Ma, J.Wang, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.15 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.367, 98.854, 59.215, 90.00, 108.23, 90.00
R / Rfree (%) 18.1 / 20.6

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW246 (pdb code 6xbg). 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 the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW246, PDB code: 6xbg:

Sodium binding site 1 out of 1 in 6xbg

Go back to Sodium Binding Sites List in 6xbg
Sodium binding site 1 out of 1 in the Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW246


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 the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW246 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na504

b:55.6
occ:1.00
 O B:LEU271 3.3 31.8 1.0
CA B:GLY275 4.1 39.0 1.0
C B:LEU271 4.1 26.6 1.0
CA B:LEU272 4.3 24.6 1.0
CD2 B:LEU272 4.4 23.4 1.0
N B:LEU272 4.6 26.4 1.0
O B:LEU272 4.7 28.4 1.0
N B:GLY275 4.7 37.7 1.0
CD1 B:LEU287 4.7 26.5 1.0
C B:GLY275 4.8 36.2 1.0
O B:HOH646 4.8 35.5 1.0
C B:LEU272 4.9 27.9 1.0

Reference:

C.Ma, M.Sacco, Y.Chen, J.Wang. Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW246 To Be Published.
Page generated: Tue Oct 8 14:50:08 2024

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