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Sodium in PDB 7lyi: Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAWJ9-36-3

Enzymatic activity of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAWJ9-36-3

All present enzymatic activity of Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAWJ9-36-3:
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 UAWJ9-36-3, PDB code: 7lyi was solved by M.Sacco, J.Wang, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.70 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.9, 54.31, 45.17, 90, 101.1, 90
R / Rfree (%) 20 / 21.7

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 UAWJ9-36-3 (pdb code 7lyi). 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 UAWJ9-36-3, PDB code: 7lyi:

Sodium binding site 1 out of 1 in 7lyi

Go back to Sodium Binding Sites List in 7lyi
Sodium binding site 1 out of 1 in the Crystal Structure of the Sars-Cov-2 (Covid-19) Main Protease in Complex with Inhibitor UAWJ9-36-3


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 UAWJ9-36-3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na502

b:80.1
occ:1.00
 O A:VAL77 2.8 44.6 1.0
O A:HOH637 3.0 56.7 1.0
CB A:ASN63 3.8 44.1 1.0
C A:VAL77 3.8 53.0 1.0
N A:VAL77 3.8 46.8 1.0
C A:ASN63 3.8 42.7 1.0
N A:HIS64 3.9 40.4 1.0
O A:ASN63 4.0 47.5 1.0
CA A:HIS64 4.0 41.1 1.0
CG A:ARG76 4.0 85.0 1.0
CA A:VAL77 4.2 50.2 1.0
CB A:VAL77 4.2 47.3 1.0
CA A:ASN63 4.4 39.1 1.0
CB A:HIS64 4.5 53.6 1.0
C A:ARG76 4.6 54.7 1.0
CA A:ARG76 4.8 51.2 1.0
CG A:ASN63 4.9 42.2 1.0
CD A:ARG76 5.0 96.9 1.0

Reference:

M.Sacco, M.Sacco, J.Wang, Y.Chen. N/A N/A.
Page generated: Tue Oct 8 17:46:06 2024

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