Zinc in PDB 7d64: The Crystal Structure of Sars-Cov-2 3CLPRO with Zinc

All present enzymatic activity of The Crystal Structure of Sars-Cov-2 3CLPRO with Zinc:
3.4.22.69;

The structure of The Crystal Structure of Sars-Cov-2 3CLPRO with Zinc, PDB code: 7d64 was solved by Z.W.Mao, W.Xia, X.Tao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.50 / 2.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.595, 53.388, 45.398, 90, 101.43, 90
R / Rfree (%)	19.6 / 26.5

The binding sites of Zinc atom in the The Crystal Structure of Sars-Cov-2 3CLPRO with Zinc (pdb code 7d64). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the The Crystal Structure of Sars-Cov-2 3CLPRO with Zinc, PDB code: 7d64:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the The Crystal Structure of Sars-Cov-2 3CLPRO with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of Sars-Cov-2 3CLPRO with Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:65.8 occ:1.00 NE2 A:HIS41 2.1 57.9 1.0 SG A:CYS145 2.4 57.8 1.0 CD2 A:HIS41 2.9 49.9 1.0 CE1 A:HIS41 3.1 54.9 1.0 CB A:CYS145 3.4 56.1 1.0 O A:HIS164 4.0 53.7 1.0 CG A:HIS41 4.1 56.0 1.0 ND1 A:HIS41 4.2 59.5 1.0 O A:HOH523 4.3 66.6 1.0 CD2 A:LEU27 4.5 55.1 1.0 CA A:CYS145 4.8 55.1 1.0 C A:HIS164 5.0 43.9 1.0

Zinc binding site 2 out of 2 in the The Crystal Structure of Sars-Cov-2 3CLPRO with Zinc


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of The Crystal Structure of Sars-Cov-2 3CLPRO with Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:107.5 occ:1.00 OD1 A:ASP153 2.3 94.6 1.0 SG A:CYS156 2.4 71.8 1.0 OD1 A:ASP155 2.7 89.3 1.0 CG A:ASP153 2.9 93.7 1.0 OD2 A:ASP153 3.0 95.6 1.0 CB A:CYS156 3.4 73.1 1.0 CG A:ASP155 3.4 87.9 1.0 OD2 A:ASP155 3.5 80.0 1.0 N A:CYS156 3.8 73.1 1.0 CA A:CYS156 4.1 70.9 1.0 O A:CYS156 4.3 66.4 1.0 CB A:ASP153 4.4 82.8 1.0 O A:ASP153 4.4 87.1 1.0 C A:CYS156 4.5 61.6 1.0 CB A:ASP155 4.8 83.9 1.0 C A:ASP155 4.8 84.5 1.0 C A:ASP153 4.9 85.4 1.0 NZ A:LYS102 4.9 78.6 1.0 CD A:LYS102 4.9 71.6 1.0 CE A:LYS102 4.9 77.1 1.0

Z.W.Mao, W.Xia, X.Tao. Zinc Homeostasis in Sars-Cov-2 Infection To Be Published.