Chlorine in PDB 9f7s: Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-K229R Mutant

All present enzymatic activity of Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-K229R Mutant:
3.4.19.12;

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-K229R Mutant, PDB code: 9f7s 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)	19.79 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.819, 81.819, 135.647, 90, 90, 120
R / Rfree (%)	16 / 18.4

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-K229R Mutant also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Sodium	(Na)	3 atoms

The binding sites of Chlorine atom in the Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-K229R Mutant (pdb code 9f7s). 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-K191D-K229R Mutant, PDB code: 9f7s:
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-K191D-K229R 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-K191D-K229R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:26.0 occ:1.00 H A:PHE128 2.4 26.6 1.0 O A:HOH830 2.9 46.1 1.0 HA A:GLN134 3.1 24.4 1.0 O A:HOH661 3.1 27.0 1.0 O A:HOH565 3.1 26.1 1.0 HA A:LYS127 3.1 26.3 1.0 HG2 A:GLN134 3.1 26.3 1.0 HD2 A:PHE128 3.1 23.4 1.0 HB2 A:PHE128 3.2 23.6 1.0 N A:PHE128 3.2 22.1 1.0 HD2 A:TYR137 3.3 29.8 1.0 CA A:LYS127 3.9 21.9 1.0 CD2 A:PHE128 3.9 19.5 1.0 CG A:GLN134 4.0 21.9 1.0 CA A:GLN134 4.0 20.4 1.0 HZ2 A:LYS127 4.0 79.0 1.0 CB A:PHE128 4.0 19.7 1.0 C A:LYS127 4.1 25.2 1.0 HB3 A:LYS127 4.1 36.3 1.0 HB3 A:TYR137 4.1 24.4 1.0 CA A:PHE128 4.2 23.3 1.0 HB3 A:GLN134 4.2 28.3 1.0 CD2 A:TYR137 4.2 24.8 1.0 HG3 A:GLN134 4.3 26.3 1.0 CB A:GLN134 4.3 23.6 1.0 HG2 A:LYS127 4.3 45.7 1.0 O A:PHE128 4.4 23.4 1.0 CG A:PHE128 4.4 20.7 1.0 CB A:LYS127 4.5 30.2 1.0 O A:LEU126 4.6 27.2 1.0 HD3 A:LYS127 4.6 80.7 1.0 O A:GLN134 4.7 21.9 1.0 C A:PHE128 4.8 23.4 1.0 N A:GLN134 4.8 20.6 1.0 HB3 A:PHE128 4.8 23.6 1.0 O A:HOH615 4.8 31.3 1.0 CG A:LYS127 4.8 38.1 1.0 HE2 A:TYR137 4.8 31.0 1.0 NZ A:LYS127 4.9 65.8 1.0 C A:GLN134 4.9 23.3 1.0 O A:HOH790 4.9 47.0 1.0 CB A:TYR137 4.9 20.3 1.0 HA A:PHE128 5.0 27.9 1.0 CE2 A:PHE128 5.0 23.2 1.0

Chlorine binding site 2 out of 2 in the Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-K229R 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-K191D-K229R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:31.2 occ:1.00 HD1 A:HIS74 2.2 29.4 1.0 HD2 A:HIS176 2.6 37.7 1.0 HA A:HIS176 2.9 30.3 1.0 HG3 A:PRO130 2.9 29.7 1.0 HB2 A:ASN129 2.9 32.9 1.0 HD3 A:PRO130 2.9 23.9 1.0 ND1 A:HIS74 3.1 24.5 1.0 CD2 A:HIS176 3.4 31.4 1.0 HB2 A:HIS74 3.6 24.9 1.0 HD21 A:ASN129 3.6 47.2 1.0 HB3 A:HIS74 3.6 24.9 1.0 HB3 A:ASN129 3.6 32.9 1.0 CG A:PRO130 3.6 24.7 1.0 CD A:PRO130 3.7 19.9 1.0 CB A:ASN129 3.7 27.4 1.0 CA A:HIS176 3.8 25.3 1.0 O A:HOH602 3.8 31.0 1.0 HB3 A:HIS176 3.8 27.8 1.0 CB A:HIS74 3.9 20.8 1.0 CG A:HIS74 3.9 22.6 1.0 CG A:HIS176 4.0 31.7 1.0 HG2 A:PRO130 4.0 29.7 1.0 CB A:HIS176 4.0 23.2 1.0 CE1 A:HIS74 4.1 28.1 1.0 HE1 A:HIS74 4.3 33.7 1.0 C A:HIS176 4.3 26.3 1.0 O A:HIS176 4.3 21.4 1.0 N A:PRO130 4.3 21.4 1.0 ND2 A:ASN129 4.3 39.3 1.0 O A:HOH786 4.4 37.3 1.0 O A:GLN175 4.4 26.6 1.0 HD2 A:PRO130 4.4 23.9 1.0 NE2 A:HIS176 4.5 30.8 1.0 CG A:ASN129 4.6 34.9 1.0 H A:ASN129 4.6 26.1 1.0 HE2 A:HIS176 4.7 36.9 1.0 CA A:ASN129 4.7 21.8 1.0 C A:ASN129 4.8 21.6 1.0 N A:HIS176 4.8 21.9 1.0 O A:HOH815 4.8 47.2 1.0 CB A:PRO130 4.9 22.0 1.0

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