Zinc in PDB 7d47: Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S

All present enzymatic activity of Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S:
3.4.19.12;

The structure of Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S, PDB code: 7d47 was solved by K.-P.Wu, S.-K.Chen, Y.-C.Lu, Y.-C.J.Huang, M.-H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.50 / 1.97
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	110.846, 110.846, 66.220, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 19.7

The structure of Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S (pdb code 7d47). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S, PDB code: 7d47:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S


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 Sars-Cov-2 Papain-Like Protease C111S within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:93.7 occ:1.00 NZ A:LYS228 2.2 78.6 1.0 SG A:CYS226 2.3 79.0 1.0 SG A:CYS189 2.3 81.7 1.0 SG A:CYS192 2.3 75.6 1.0 SG A:CYS224 2.9 93.1 1.0 CB A:CYS224 3.3 90.6 1.0 CB A:CYS226 3.3 72.3 1.0 CE A:LYS228 3.3 77.0 1.0 CG A:LYS228 3.5 82.0 1.0 CB A:CYS192 3.6 70.0 1.0 N A:CYS192 3.9 63.9 1.0 CD A:LYS228 3.9 79.0 1.0 CB A:CYS189 4.0 71.0 1.0 CA A:CYS192 4.4 66.9 1.0 N A:CYS226 4.4 71.9 1.0 CA A:CYS226 4.4 70.2 1.0 O A:HOH658 4.5 71.4 1.0 N A:LYS228 4.7 80.8 1.0 CA A:CYS224 4.7 85.5 1.0 CB A:THR191 4.7 71.7 1.0 CB A:LYS228 4.8 83.0 1.0 N A:GLY227 4.9 75.1 1.0 O A:GLN229 4.9 81.1 1.0 C A:THR191 4.9 63.6 1.0 N A:THR191 5.0 68.3 1.0 O A:LYS228 5.0 81.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Sars-Cov-2 Papain-Like Protease C111S within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:81.2 occ:1.00 SG B:CYS192 2.3 79.0 1.0 N B:CYS192 2.5 86.0 1.0 CB B:CYS192 2.9 90.2 1.0 CA B:CYS192 3.3 88.9 1.0 N B:THR191 3.5 86.1 1.0 C B:THR191 3.5 82.5 1.0 CB B:THR191 3.7 88.5 1.0 CA B:THR191 3.7 86.3 1.0 SG B:CYS226 3.8 92.6 1.0 N B:LYS190 4.4 86.5 1.0 C B:CYS192 4.5 79.1 1.0 OG1 B:THR191 4.5 90.8 1.0 CB B:CYS224 4.6 89.1 1.0 O B:THR191 4.6 78.5 1.0 C B:LYS190 4.7 90.7 1.0 CG2 B:THR191 4.8 76.3 1.0 SG B:CYS224 4.9 93.9 1.0

K.-P.Wu, S.-K.Chen, Y.-C.Lu, Y.-C.J.Huang, M.-H.Lee. Crystal Structure of Sars-Cov-2 Papain-Like Protease To Be Published.