Chlorine in PDB 6xg3: The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant, at Room Temperature

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant, at Room Temperature, PDB code: 6xg3 was solved by J.Osipiuk, C.Tesar, R.Jedrzejczak, M.Endres, 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)	49.23 / 2.48
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	82.439, 82.439, 135.713, 90.00, 90.00, 120.00
R / Rfree (%)	15.1 / 19.3

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant, at Room Temperature 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, at Room Temperature (pdb code 6xg3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant, at Room Temperature, PDB code: 6xg3:

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


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, at Room Temperature within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:77.9 occ:1.00 N A:VAL11 2.8 42.1 1.0 OE1 A:GLU67 2.9 43.2 1.0 O A:ASN15 3.0 42.5 1.0 OG1 A:THR10 3.1 46.0 1.0 OD1 A:ASP12 3.3 42.7 1.0 CG2 A:VAL11 3.4 45.7 1.0 CA A:THR10 3.4 44.3 1.0 N A:ASP12 3.5 44.3 1.0 C A:THR10 3.6 43.5 1.0 NE2 A:HIS17 3.6 44.6 1.0 CG A:ASP12 3.7 45.5 1.0 CA A:VAL11 3.8 42.3 1.0 CB A:THR10 3.9 44.9 1.0 CD A:GLU67 3.9 44.6 1.0 CD2 A:HIS17 3.9 46.2 1.0 C A:ASN15 4.0 43.7 1.0 CB A:ASN15 4.0 48.6 1.0 CB A:VAL11 4.1 45.1 1.0 C A:VAL11 4.1 43.2 1.0 CB A:GLU67 4.2 43.6 1.0 OD2 A:ASP12 4.2 45.0 1.0 CD2 A:LEU64 4.2 56.3 1.0 CA A:ASN15 4.4 46.5 1.0 CB A:ASP12 4.5 45.2 1.0 CG A:GLU67 4.5 44.4 1.0 CA A:ASP12 4.5 45.3 1.0 N A:ASN15 4.6 45.6 1.0 N A:THR10 4.7 43.7 1.0 O A:THR10 4.7 46.2 1.0 OE2 A:GLU67 4.8 51.4 1.0 CG1 A:VAL11 4.8 47.8 1.0 N A:ASN13 4.9 47.4 1.0 CE1 A:HIS17 4.9 48.2 1.0 O A:THR9 4.9 47.1 1.0

J.Osipiuk, C.Tesar, R.Jedrzejczak, M.Endres, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). The Crystal Structure of Papain-Like Protease of Sars Cov-2 , C111S Mutant, at Room Temperature To Be Published.