Chlorine in PDB 9f7y: Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-Q222D-K229R-Q230R- C271S Mutant

All present enzymatic activity of Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-Q222D-K229R-Q230R- C271S Mutant:
3.4.19.12;

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-Q222D-K229R-Q230R- C271S Mutant, PDB code: 9f7y 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 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.465, 81.465, 134.931, 90, 90, 120
R / Rfree (%)	16.5 / 18.3

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-Q222D-K229R-Q230R- C271S 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-Q222D-K229R-Q230R- C271S Mutant (pdb code 9f7y). 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-Q222D-K229R-Q230R- C271S Mutant, PDB code: 9f7y:
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-Q222D-K229R-Q230R- C271S 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-Q222D-K229R-Q230R- C271S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:31.4 occ:1.00 HZ2 A:LYS127 2.2 59.1 1.0 H A:PHE128 2.4 31.1 1.0 O A:HOH564 3.0 32.4 1.0 NZ A:LYS127 3.0 53.0 1.0 HA A:GLN134 3.0 31.4 1.0 HG2 A:GLN134 3.1 32.2 1.0 O A:HOH591 3.1 34.1 1.0 HD2 A:PHE128 3.1 29.9 1.0 HB2 A:PHE128 3.2 29.0 1.0 HA A:LYS127 3.2 34.6 1.0 HZ1 A:LYS127 3.2 59.1 1.0 HE3 A:LYS127 3.3 89.2 1.0 N A:PHE128 3.3 27.9 1.0 HD2 A:LYS127 3.5 103.4 1.0 HD2 A:TYR137 3.5 35.1 1.0 CE A:LYS127 3.5 78.3 1.0 HZ3 A:LYS127 3.6 59.1 1.0 CD2 A:PHE128 3.9 25.4 1.0 CD A:LYS127 3.9 90.7 1.0 CG A:GLN134 3.9 28.5 1.0 CA A:GLN134 3.9 27.1 1.0 CB A:PHE128 4.0 24.9 1.0 CA A:LYS127 4.0 32.2 1.0 HG3 A:LYS127 4.1 59.9 1.0 HB3 A:GLN134 4.1 30.8 1.0 CA A:PHE128 4.2 26.6 1.0 HB3 A:TYR137 4.2 26.7 1.0 C A:LYS127 4.2 31.4 1.0 CB A:GLN134 4.2 27.1 1.0 HG3 A:GLN134 4.3 32.2 1.0 CD2 A:TYR137 4.3 30.5 1.0 CG A:PHE128 4.4 25.8 1.0 O A:PHE128 4.4 30.3 1.0 CG A:LYS127 4.4 54.2 1.0 HE2 A:LYS127 4.5 89.2 1.0 O A:LEU126 4.6 36.5 1.0 O A:GLN134 4.7 26.2 1.0 CB A:LYS127 4.7 35.5 1.0 C A:PHE128 4.8 27.6 1.0 HB3 A:PHE128 4.8 29.0 1.0 O A:HOH606 4.8 36.9 1.0 O A:HOH771 4.8 48.6 1.0 N A:GLN134 4.8 23.5 1.0 HB2 A:LYS127 4.8 37.4 1.0 HD3 A:LYS127 4.8 103.4 1.0 C A:GLN134 4.8 28.4 1.0 CE2 A:PHE128 4.9 28.1 1.0 CB A:TYR137 5.0 22.6 1.0 HA A:PHE128 5.0 30.3 1.0 HE2 A:TYR137 5.0 34.9 1.0

Chlorine binding site 2 out of 2 in the Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-Q222D-K229R-Q230R- C271S 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-Q222D-K229R-Q230R- C271S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl408 b:40.3 occ:1.00 HD1 A:HIS74 2.2 35.0 1.0 HD1 A:HIS176 2.6 50.8 1.0 HG3 A:PRO130 2.9 35.1 1.0 HA A:HIS176 2.9 36.9 1.0 HD3 A:PRO130 3.0 31.8 1.0 HB2 A:ASN129 3.0 37.7 1.0 ND1 A:HIS74 3.1 30.0 1.0 ND1 A:HIS176 3.4 42.2 1.0 HB3 A:ASN129 3.5 37.7 1.0 HB3 A:HIS74 3.6 32.5 1.0 CG A:PRO130 3.6 29.2 1.0 HD21 A:ASN129 3.6 52.4 1.0 CB A:ASN129 3.7 33.0 1.0 CD A:PRO130 3.7 26.8 1.0 HB2 A:HIS74 3.7 32.5 1.0 HB3 A:HIS176 3.7 33.0 1.0 O A:HOH551 3.7 40.0 1.0 CA A:HIS176 3.8 31.0 1.0 CB A:HIS74 3.9 27.4 1.0 CG A:HIS74 3.9 29.2 1.0 HG2 A:PRO130 4.0 35.1 1.0 CB A:HIS176 4.0 27.4 1.0 CG A:HIS176 4.1 34.2 1.0 CE1 A:HIS74 4.1 30.5 1.0 HE1 A:HIS74 4.2 35.2 1.0 N A:PRO130 4.3 27.2 1.0 O A:HOH765 4.3 45.5 1.0 C A:HIS176 4.3 28.3 1.0 ND2 A:ASN129 4.3 45.9 1.0 CE1 A:HIS176 4.3 28.9 1.0 O A:HIS176 4.3 27.4 1.0 O A:GLN175 4.4 31.9 1.0 HD2 A:PRO130 4.5 31.8 1.0 HE1 A:HIS176 4.5 34.9 1.0 CG A:ASN129 4.6 50.5 1.0 H A:ASN129 4.7 29.5 1.0 CA A:ASN129 4.7 26.9 1.0 C A:ASN129 4.8 27.6 1.0 CB A:PRO130 4.8 26.4 1.0 N A:HIS176 4.8 25.9 1.0 HB2 A:HIS176 5.0 33.0 1.0 HB3 A:PRO130 5.0 31.8 1.0 HA A:PRO130 5.0 30.6 1.0

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