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Sodium in PDB 8udf: Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor DEL_7

Enzymatic activity of Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor DEL_7

All present enzymatic activity of Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor DEL_7:
3.4.22.69;

Protein crystallography data

The structure of Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor DEL_7, PDB code: 8udf was solved by F.Forouhar, H.Liu, A.Zack, S.Iketani, A.Williams, D.R.Vaz, D.L.Habashi, S.J.Resnick, A.Chavez, D.D.Ho, B.R.Stockwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.07 / 1.74
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 98.087, 81.861, 51.856, 90, 114.81, 90
R / Rfree (%) 16.5 / 19.4

Other elements in 8udf:

The structure of Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor DEL_7 also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Fluorine (F) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor DEL_7 (pdb code 8udf). 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 Sars-Cov-2 3CL Protease with Inhibitor DEL_7, PDB code: 8udf:

Sodium binding site 1 out of 1 in 8udf

Go back to Sodium Binding Sites List in 8udf
Sodium binding site 1 out of 1 in the Crystal Structure of Sars-Cov-2 3CL Protease with Inhibitor DEL_7


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 Sars-Cov-2 3CL Protease with Inhibitor DEL_7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na704

b:90.4
occ:0.50
O A:HOH927 2.4 62.8 1.0
O A:HOH967 3.7 46.3 1.0
OE2 A:GLU484 4.2 38.9 1.0
NE2 A:GLN389 4.6 53.4 1.0
O A:HOH1015 4.7 68.5 1.0
OE1 A:GLU484 5.0 37.1 1.0

Reference:

H.Liu, A.Zack, F.Forouhar, S.Iketani, A.Williams, D.R.Vaz, D.L.Habashi, K.Choi, S.J.Resnick, A.Chavez, D.D.Ho, B.R.Stockwell. Development of Small Molecule Non-Covalent Coronavirus 3CL Protease Inhibitors From Dna-Encoded Chemical Library Screening To Be Published.
Page generated: Sat Feb 8 23:43:38 2025

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