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Sodium in PDB 6xbh: Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW247

Enzymatic activity of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW247

All present enzymatic activity of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW247:
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 UAW247, PDB code: 6xbh 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) 32.15 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.190, 54.512, 45.129, 90.00, 100.02, 90.00
R / Rfree (%) 17.4 / 22.1

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 UAW247 (pdb code 6xbh). 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 UAW247, PDB code: 6xbh:

Sodium binding site 1 out of 1 in 6xbh

Go back to Sodium Binding Sites List in 6xbh
Sodium binding site 1 out of 1 in the Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAW247


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 UAW247 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na502

b:47.3
occ:1.00
 O A:HOH735 2.7 25.5 1.0
O A:VAL77 2.8 24.2 1.0
O A:HOH669 3.5 34.7 1.0
N A:VAL77 3.7 23.8 1.0
O A:ASN63 3.8 23.1 1.0
C A:VAL77 3.8 20.9 1.0
C A:ASN63 3.9 25.3 1.0
CB A:ASN63 3.9 22.7 1.0
CG A:ARG76 3.9 41.8 1.0
N A:HIS64 4.1 23.3 1.0
CA A:VAL77 4.1 21.4 1.0
CA A:HIS64 4.2 26.5 1.0
CB A:VAL77 4.2 22.7 1.0
CA A:ASN63 4.5 21.8 1.0
C A:ARG76 4.6 21.5 1.0
C1 A:GOL501 4.6 40.1 0.5
CA A:ARG76 4.7 28.5 1.0
CB A:HIS64 4.9 27.7 1.0
CB A:ARG76 4.9 32.2 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 UAW247 To Be Published.
Page generated: Tue Oct 8 14:50:22 2024

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