Chlorine in PDB 9f7p: Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant

All present enzymatic activity of Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant:
3.4.19.12;

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant, PDB code: 9f7p was solved by A.Camara-Artigas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.69 / 1.70
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.076, 81.076, 135.173, 90, 90, 120
R / Rfree (%)	16.5 / 18

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant (pdb code 9f7p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant, PDB code: 9f7p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:34.8 occ:1.00 H A:PHE128 2.4 36.8 1.0 HA A:GLN134 3.0 36.1 1.0 O A:HOH667 3.0 38.0 1.0 HD2 A:PHE128 3.1 35.1 1.0 HA A:LYS127 3.1 40.8 1.0 HG2 A:GLN134 3.1 35.2 1.0 O A:HOH599 3.2 36.1 1.0 HB2 A:PHE128 3.2 33.4 1.0 N A:PHE128 3.2 30.7 1.0 HD2 A:TYR137 3.4 38.3 1.0 CD2 A:PHE128 3.8 29.2 1.0 HG2 A:LYS127 3.9 57.8 1.0 CA A:GLN134 3.9 30.1 1.0 CA A:LYS127 3.9 34.0 1.0 CB A:PHE128 3.9 27.9 1.0 CG A:GLN134 4.0 29.3 1.0 HB3 A:GLN134 4.0 37.8 1.0 HB3 A:TYR137 4.1 34.1 1.0 C A:LYS127 4.1 29.6 1.0 CA A:PHE128 4.1 27.3 1.0 HB3 A:LYS127 4.1 45.8 1.0 CB A:GLN134 4.2 31.5 1.0 CD2 A:TYR137 4.3 31.9 1.0 CG A:PHE128 4.3 27.8 1.0 HG3 A:GLN134 4.4 35.2 1.0 O A:PHE128 4.4 32.5 1.0 CB A:LYS127 4.4 38.2 1.0 CG A:LYS127 4.6 48.1 1.0 O A:LEU126 4.6 37.2 1.0 O A:GLN134 4.7 29.1 1.0 N A:GLN134 4.7 27.9 1.0 C A:PHE128 4.7 30.7 1.0 HB3 A:PHE128 4.7 33.4 1.0 C A:GLN134 4.8 30.7 1.0 O A:HOH644 4.8 40.4 1.0 CB A:TYR137 4.9 28.4 1.0 CE2 A:PHE128 4.9 30.0 1.0 HG3 A:LYS127 4.9 57.8 1.0 HE2 A:PHE128 4.9 36.0 1.0 HA A:PHE128 4.9 32.7 1.0 HE2 A:TYR137 5.0 44.1 1.0

Chlorine binding site 2 out of 2 in the Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Sars-Cov-2 Papain-Like Protease (Plpro) C112S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:35.6 occ:1.00 HD1 A:HIS74 2.2 39.7 1.0 HA A:HIS176 2.8 41.1 1.0 HG3 A:PRO130 2.8 37.2 1.0 HD2 A:HIS176 2.8 49.4 1.0 HB2 A:ASN129 2.8 42.8 1.0 HD3 A:PRO130 2.9 38.4 1.0 ND1 A:HIS74 3.0 33.1 1.0 CD2 A:HIS176 3.4 41.1 1.0 HD21 A:ASN129 3.4 52.7 1.0 HB2 A:HIS74 3.6 34.6 1.0 HB3 A:HIS74 3.6 34.6 1.0 CG A:PRO130 3.6 31.0 1.0 HB3 A:ASN129 3.6 42.8 1.0 CB A:ASN129 3.6 35.7 1.0 CD A:PRO130 3.6 32.0 1.0 CA A:HIS176 3.7 34.2 1.0 O A:HOH567 3.7 35.7 1.0 HB3 A:HIS176 3.8 37.1 1.0 CB A:HIS74 3.9 28.8 1.0 CG A:HIS74 3.9 31.8 1.0 CG A:HIS176 3.9 39.3 1.0 HG2 A:PRO130 4.0 37.2 1.0 CB A:HIS176 4.0 30.9 1.0 CE1 A:HIS74 4.0 32.3 1.0 ND2 A:ASN129 4.2 43.9 1.0 HE1 A:HIS74 4.2 38.8 1.0 N A:PRO130 4.3 30.3 1.0 C A:HIS176 4.3 31.4 1.0 O A:GLN175 4.3 34.4 1.0 O A:HOH776 4.3 42.1 1.0 NE2 A:HIS176 4.4 38.6 1.0 HD2 A:PRO130 4.4 38.4 1.0 O A:HIS176 4.5 32.4 1.0 CG A:ASN129 4.5 41.9 1.0 H A:ASN129 4.6 34.8 1.0 CA A:ASN129 4.7 28.3 1.0 C A:ASN129 4.7 30.7 1.0 CB A:PRO130 4.8 29.7 1.0 N A:HIS176 4.8 30.3 1.0 HD22 A:ASN129 4.9 52.7 1.0 HB3 A:PRO130 4.9 35.6 1.0 HA A:PRO130 5.0 33.4 1.0 HB2 A:HIS176 5.0 37.1 1.0 CA A:PRO130 5.0 27.9 1.0

A.Camara-Artigas, A.Camara-Artigas. N/A N/A.