Chlorine in PDB 8fwo: Crystal Structure of Sars-Cov-2 Papain-Like Protease

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

The structure of Crystal Structure of Sars-Cov-2 Papain-Like Protease, PDB code: 8fwo was solved by E.H.S.Bezerra, A.S.Soprano, C.C.C.Tonoli, P.F.V.Prado, J.C.Da Silva, K.G.Franchini, D.B.B.Trivella, C.E.Benedetti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.65 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.005, 83.005, 133.964, 90, 90, 120
R / Rfree (%)	18.1 / 21.7

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

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 Papain-Like Protease (pdb code 8fwo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Sars-Cov-2 Papain-Like Protease, PDB code: 8fwo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Sars-Cov-2 Papain-Like Protease


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Sars-Cov-2 Papain-Like Protease within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:32.6 occ:0.00 O A:HOH598 2.9 37.9 1.0 O A:HOH547 3.0 32.9 1.0 O A:HOH755 3.2 50.9 1.0 N A:PHE127 3.3 25.3 1.0 CA A:GLN133 3.9 27.1 1.0 CD2 A:PHE127 4.0 26.1 1.0 CA A:LYS126 4.0 31.8 1.0 CG A:GLN133 4.0 27.3 1.0 CB A:PHE127 4.1 24.1 1.0 CD2 A:TYR136 4.1 31.7 1.0 C A:LYS126 4.1 26.1 1.0 CA A:PHE127 4.2 24.8 1.0 CB A:GLN133 4.3 26.8 1.0 CD A:LYS126 4.4 71.9 1.0 CG A:PHE127 4.5 21.9 1.0 O A:PHE127 4.5 27.7 1.0 O A:LEU125 4.6 33.9 1.0 CB A:LYS126 4.6 38.2 1.0 O A:GLN133 4.6 26.5 1.0 O A:HOH747 4.8 47.0 1.0 C A:GLN133 4.8 28.1 1.0 N A:GLN133 4.8 24.6 1.0 C A:PHE127 4.8 26.6 1.0 CE2 A:TYR136 4.9 40.6 1.0 CB A:TYR136 4.9 21.2 1.0 O A:HOH730 4.9 56.1 1.0 CE2 A:PHE127 5.0 23.5 1.0 CG A:TYR136 5.0 24.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Sars-Cov-2 Papain-Like Protease


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Sars-Cov-2 Papain-Like Protease within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:28.6 occ:0.00 N A:VAL11 2.7 21.9 1.0 O A:ASN15 2.9 26.8 1.0 OG1 A:THR10 2.9 22.7 1.0 OE1 A:GLU67 3.0 28.2 1.0 OD1 A:ASP12 3.0 30.3 1.0 N A:ASP12 3.2 28.4 1.0 CG2 A:VAL11 3.3 29.9 1.0 CG A:ASP12 3.5 30.3 1.0 CA A:THR10 3.5 22.4 1.0 C A:THR10 3.5 29.7 1.0 CA A:VAL11 3.6 25.5 1.0 CB A:THR10 3.8 23.1 1.0 CE1 A:HIS17 3.8 25.7 1.0 C A:VAL11 3.9 29.8 1.0 CB A:ASN15 3.9 29.8 1.0 C A:ASN15 3.9 27.7 1.0 OD2 A:ASP12 4.0 30.1 1.0 CD A:GLU67 4.0 40.3 1.0 CB A:VAL11 4.1 25.9 1.0 CA A:ASP12 4.2 26.1 1.0 ND1 A:HIS17 4.2 38.6 1.0 CB A:ASP12 4.3 27.2 1.0 CA A:ASN15 4.3 25.4 1.0 N A:ASN15 4.4 26.5 1.0 CB A:GLU67 4.4 24.7 1.0 N A:ASN13 4.6 24.0 1.0 CD2 A:LEU64 4.6 34.9 1.0 O A:THR10 4.7 25.1 1.0 CG A:GLU67 4.8 30.8 1.0 CG1 A:VAL11 4.8 30.6 1.0 OE2 A:GLU67 4.8 30.2 1.0 C A:ASP12 4.8 27.6 1.0 N A:THR10 4.8 22.8 1.0 ND2 A:ASN15 4.9 45.9 1.0 CG A:ASN15 4.9 46.9 1.0 CG2 A:THR10 4.9 21.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Sars-Cov-2 Papain-Like Protease


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Sars-Cov-2 Papain-Like Protease within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:73.7 occ:1.00 O A:HOH713 3.4 59.2 1.0 OG A:SER49 3.6 44.5 1.0 CB A:SER49 4.3 40.5 1.0 CD2 A:HIS47 4.5 69.2 1.0 CG A:HIS47 4.9 54.1 1.0 CB A:HIS47 4.9 40.3 1.0

E.H.S.Bezerra, A.S.Soprano, C.C.C.Tonoli, P.F.V.Prado, J.C.Da Silva, K.G.Franchini, D.B.B.Trivella, C.E.Benedetti. Crystal Structure of Sars-Cov-2 Papain-Like Protease To Be Published.