Chlorine in PDB 6wrh: The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant

All present enzymatic activity of The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant:
2.7.7.48; 3.4.19.12; 3.4.22.69; 3.6.4.12; 3.6.4.13;

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant, PDB code: 6wrh was solved by J.Osipiuk, C.Tesar, R.Jedrzejczak, M.Endres, L.Welk, G.Babnigg, Y.Kim, K.Michalska, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.99 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.403, 82.403, 134.503, 90.00, 90.00, 120.00
R / Rfree (%)	12.3 / 16.4

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

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant (pdb code 6wrh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant, PDB code: 6wrh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:33.6 occ:0.90 O A:HOH901 2.9 48.7 1.0 O A:HOH708 3.0 38.9 1.0 O A:HOH662 3.2 34.5 1.0 N A:PHE127 3.2 23.7 1.0 CB A:PHE127 3.8 21.7 1.0 CD2 A:PHE127 3.9 22.2 1.0 CA A:LYS126 3.9 25.2 0.4 CA A:GLN133 3.9 21.9 1.0 CA A:LYS126 3.9 26.2 0.6 CG A:GLN133 4.0 25.1 1.0 CA A:PHE127 4.0 23.2 1.0 C A:LYS126 4.0 23.0 1.0 CD A:LYS126 4.1 49.7 0.6 O A:PHE127 4.2 23.9 1.0 CB A:GLN133 4.2 24.2 1.0 CG A:PHE127 4.3 20.2 1.0 CD2 A:TYR136 4.3 30.3 1.0 O A:LEU125 4.5 31.2 1.0 CB A:LYS126 4.5 28.7 0.4 C A:PHE127 4.6 21.6 1.0 O A:GLN133 4.7 24.1 1.0 CB A:LYS126 4.7 34.9 0.6 N A:GLN133 4.7 21.3 1.0 C A:GLN133 4.9 22.8 1.0 CG A:LYS126 4.9 44.4 0.6 CB A:TYR136 4.9 22.3 1.0 CE2 A:PHE127 5.0 24.1 1.0 O A:HOH646 5.0 46.3 1.0 CE A:LYS126 5.0 47.0 0.6

Chlorine binding site 2 out of 2 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:33.0 occ:0.80 OE1 A:GLU67 2.7 24.6 1.0 O A:ASN15 2.8 23.5 1.0 N A:VAL11 2.8 19.4 1.0 OG1 A:THR10 3.2 21.0 1.0 OD1 A:ASP12 3.3 23.5 1.0 CG2 A:VAL11 3.4 22.9 1.0 N A:ASP12 3.5 23.0 1.0 CA A:THR10 3.5 20.3 1.0 C A:THR10 3.6 21.1 1.0 CG A:ASP12 3.7 25.1 1.0 CB A:ASN15 3.7 27.1 1.0 CD A:GLU67 3.7 22.8 1.0 NE2 A:HIS17 3.8 23.4 1.0 C A:ASN15 3.8 21.8 1.0 CA A:VAL11 3.8 20.6 1.0 CB A:THR10 4.0 20.5 1.0 CD2 A:HIS17 4.0 22.3 1.0 OD2 A:ASP12 4.1 27.0 1.0 C A:VAL11 4.1 21.2 1.0 CB A:VAL11 4.1 21.7 1.0 CA A:ASN15 4.2 22.0 1.0 CD2 A:LEU64 4.2 27.6 1.0 CB A:GLU67 4.2 20.4 1.0 N A:ASN15 4.4 22.7 1.0 CB A:ASP12 4.5 23.6 1.0 CG A:GLU67 4.5 23.3 1.0 CA A:ASP12 4.5 24.2 1.0 OE2 A:GLU67 4.6 26.8 1.0 N A:THR10 4.8 20.6 1.0 O A:THR10 4.9 21.1 1.0 CG A:ASN15 4.9 33.1 1.0 CG1 A:VAL11 4.9 24.0 1.0 N A:ASN13 4.9 23.1 1.0 ND2 A:ASN15 4.9 41.2 1.0 N A:LEU16 5.0 21.9 1.0

J.Osipiuk, C.Tesar, R.Jedrzejczak, M.Endres, L.Welk, G.Babnigg, Y.Kim, K.Michalska, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant To Be Published.