Zinc in PDB 7ntw: Crystal Structure of the Sars-Cov-2 Main Protease with A Zinc Ion Coordinated in the Active Site

Enzymatic activity of Crystal Structure of the Sars-Cov-2 Main Protease with A Zinc Ion Coordinated in the Active Site

All present enzymatic activity of Crystal Structure of the Sars-Cov-2 Main Protease with A Zinc Ion Coordinated in the Active Site:
3.4.22.69;

Protein crystallography data

The structure of Crystal Structure of the Sars-Cov-2 Main Protease with A Zinc Ion Coordinated in the Active Site, PDB code: 7ntw was solved by E.Dupre, V.Villeret, X.Hanoulle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.37 / 1.82
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.31, 53.68, 44.72, 90, 101.67, 90
R / Rfree (%) 19.7 / 25.7

Other elements in 7ntw:

The structure of Crystal Structure of the Sars-Cov-2 Main Protease with A Zinc Ion Coordinated in the Active Site also contains other interesting chemical elements:

Sodium (Na) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Sars-Cov-2 Main Protease with A Zinc Ion Coordinated in the Active Site (pdb code 7ntw). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of the Sars-Cov-2 Main Protease with A Zinc Ion Coordinated in the Active Site, PDB code: 7ntw:

Zinc binding site 1 out of 1 in 7ntw

Go back to Zinc Binding Sites List in 7ntw
Zinc binding site 1 out of 1 in the Crystal Structure of the Sars-Cov-2 Main Protease with A Zinc Ion Coordinated in the Active Site


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Sars-Cov-2 Main Protease with A Zinc Ion Coordinated in the Active Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn411

b:43.4
occ:1.00
 HG A:CYS145 1.1 35.0 0.0
HE2 A:HIS41 1.3 36.0 0.0
NE2 A:HIS41 2.1 35.9 1.0
SG A:CYS145 2.2 34.9 1.0
O A:HOH583 2.3 48.5 1.0
O A:HOH581 2.6 50.8 1.0
CE1 A:HIS41 3.1 38.1 1.0
HB2 A:CYS145 3.1 35.3 1.0
CB A:CYS145 3.1 36.2 1.0
CD2 A:HIS41 3.1 38.2 1.0
HE1 A:HIS41 3.2 36.2 1.0
HB3 A:CYS145 3.3 35.3 1.0
HD2 A:HIS41 3.3 36.9 1.0
O A:HOH552 3.6 48.3 1.0
HD23 A:LEU27 3.6 34.9 1.0
O A:HIS164 3.9 31.2 1.0
ND1 A:HIS41 4.2 32.7 1.0
CG A:HIS41 4.2 35.7 1.0
HD21 A:LEU27 4.3 34.9 1.0
CD2 A:LEU27 4.4 34.9 1.0
H A:CYS145 4.5 34.4 1.0
CA A:CYS145 4.5 33.6 1.0
HB3 A:LEU27 4.6 34.1 1.0
HO2 A:FMT410 4.7 60.2 0.0
HA A:CYS145 4.8 33.9 1.0
O A:HOH596 4.9 54.3 1.0
HD22 A:LEU27 4.9 34.9 1.0
HA A:HIS164 4.9 26.6 1.0
HD1 A:HIS41 5.0 32.8 0.0

Reference:

E.Dupre, V.Villeret, X.Hanoulle. Crystal Structure of the Sars-Cov-2 Main Protease with A Zinc Ion Coordinated in the Active Site To Be Published.
Page generated: Wed Oct 30 07:53:10 2024

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