Chlorine in PDB 6wzu: The Crystal Structure of Papain-Like Protease of Sars Cov-2 , P3221 Space Group

All present enzymatic activity of The Crystal Structure of Papain-Like Protease of Sars Cov-2 , P3221 Space Group:
3.4.19.12;

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2 , P3221 Space Group, PDB code: 6wzu was solved by J.Osipiuk, C.Tesar, M.Endres, R.Jedrzejczak, A.Joachimiak, Center Forstructural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.84 / 1.79
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.986, 81.986, 134.345, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 17.4

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2 , P3221 Space Group 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 , P3221 Space Group (pdb code 6wzu). 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 , P3221 Space Group, PDB code: 6wzu:
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 , P3221 Space Group


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 , P3221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:42.2 occ:0.90 O A:HOH649 3.0 47.2 1.0 O A:HOH650 3.1 42.2 1.0 N A:PHE127 3.2 30.1 1.0 CB A:PHE127 3.9 28.7 1.0 CD A:LYS126 3.9 50.6 0.6 CG A:GLN133 3.9 34.8 1.0 CA A:LYS126 3.9 36.8 0.6 CD2 A:PHE127 3.9 29.7 1.0 CA A:GLN133 3.9 30.3 1.0 CA A:LYS126 3.9 35.7 0.4 C A:LYS126 4.0 32.1 1.0 CA A:PHE127 4.1 29.1 1.0 CB A:GLN133 4.2 32.3 1.0 O A:PHE127 4.3 31.9 1.0 CG A:PHE127 4.3 28.4 1.0 CD2 A:TYR136 4.4 35.6 1.0 O A:LEU125 4.5 38.7 1.0 CB A:LYS126 4.6 41.5 0.6 C A:PHE127 4.6 30.9 1.0 O A:GLN133 4.7 31.2 1.0 CB A:LYS126 4.7 38.3 0.4 CG A:LYS126 4.7 46.0 0.6 N A:GLN133 4.8 29.8 1.0 NZ A:LYS126 4.9 47.4 0.4 C A:GLN133 4.9 31.3 1.0 CE A:LYS126 4.9 50.3 0.6 CD A:LYS126 5.0 44.0 0.4 CE2 A:PHE127 5.0 31.6 1.0 CD A:GLN133 5.0 39.6 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 , P3221 Space Group


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 , P3221 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:43.8 occ:0.80 OE1 A:GLU67 2.7 34.9 1.0 N A:VAL11 2.8 28.1 1.0 O A:ASN15 2.8 30.9 1.0 OG1 A:THR10 3.1 27.9 1.0 OD1 A:ASP12 3.3 33.0 1.0 CG2 A:VAL11 3.4 31.6 1.0 CA A:THR10 3.5 27.9 1.0 N A:ASP12 3.5 31.6 1.0 C A:THR10 3.6 27.9 1.0 NE2 A:HIS17 3.7 33.9 1.0 CG A:ASP12 3.7 33.2 1.0 CA A:VAL11 3.8 28.2 1.0 CD A:GLU67 3.8 38.1 1.0 CB A:ASN15 3.8 35.8 1.0 C A:ASN15 3.8 30.7 1.0 CD2 A:HIS17 3.9 34.4 1.0 CB A:THR10 3.9 28.1 1.0 OD2 A:ASP12 4.1 35.9 1.0 CB A:VAL11 4.1 29.8 1.0 C A:VAL11 4.1 30.6 1.0 CD2 A:LEU64 4.2 37.8 1.0 CA A:ASN15 4.2 32.0 1.0 CB A:GLU67 4.3 31.1 1.0 N A:ASN15 4.4 31.3 1.0 CB A:ASP12 4.5 32.0 1.0 CA A:ASP12 4.6 31.8 1.0 CG A:GLU67 4.6 34.6 1.0 OE2 A:GLU67 4.6 36.3 1.0 N A:THR10 4.8 27.8 1.0 CG1 A:VAL11 4.8 31.4 1.0 O A:THR10 4.8 27.5 1.0 N A:ASN13 4.9 31.9 1.0 CG A:ASN15 4.9 41.3 1.0 O A:THR9 4.9 29.8 1.0 N A:LEU16 5.0 29.1 1.0 ND2 A:ASN15 5.0 42.6 1.0 CE1 A:HIS17 5.0 37.5 1.0

J.Osipiuk, C.Tesar, M.Endres, R.Jedrzejczak, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). The Crystal Structure of Papain-Like Protease of Sars Cov-2 , P3221 Space Group To Be Published.