Chlorine in PDB 9f7u: 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: 9f7u 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)	19.64 / 1.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.061, 81.061, 134.686, 90, 90, 120
R / Rfree (%)	15 / 17.6

The structure of Sars-Cov-2 Papain-Like Protease (Plpro) C112S-K191D-Q222D-K229R-Q230R- C271S Mutant also contains other interesting chemical elements:

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 9f7u). 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: 9f7u:
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:Cl406 b:30.4 occ:1.00 H A:PHE128 2.4 27.9 1.0 O A:HOH628 3.0 31.1 1.0 O A:HOH800 3.0 49.7 1.0 O A:HOH559 3.0 34.0 1.0 HA A:GLN134 3.1 27.8 1.0 HD2 A:PHE128 3.1 28.2 1.0 HG2 A:GLN134 3.1 29.9 1.0 HB2 A:PHE128 3.1 26.1 1.0 HA A:LYS127 3.2 30.1 1.0 N A:PHE128 3.3 23.2 1.0 HD2 A:TYR137 3.6 29.5 1.0 CD2 A:PHE128 3.9 23.5 1.0 CB A:PHE128 3.9 21.7 1.0 CA A:GLN134 4.0 23.2 1.0 CG A:GLN134 4.0 24.9 1.0 CA A:LYS127 4.0 25.1 1.0 HB3 A:GLN134 4.1 30.1 1.0 C A:LYS127 4.1 23.1 1.0 CA A:PHE128 4.1 22.8 1.0 CB A:GLN134 4.2 25.1 1.0 HB3 A:TYR137 4.2 28.1 1.0 CG A:PHE128 4.4 21.4 1.0 HG3 A:GLN134 4.4 29.9 1.0 O A:PHE128 4.4 24.8 1.0 CD2 A:TYR137 4.4 24.6 1.0 O A:LEU126 4.5 30.3 1.0 CB A:LYS127 4.7 29.1 1.0 O A:GLN134 4.7 24.0 1.0 HB3 A:PHE128 4.7 26.1 1.0 C A:PHE128 4.8 24.6 1.0 O A:HOH611 4.8 38.5 1.0 N A:GLN134 4.8 21.3 1.0 C A:GLN134 4.9 23.1 1.0 CE2 A:PHE128 5.0 24.6 1.0 HA A:PHE128 5.0 27.3 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:Cl407 b:30.8 occ:1.00 HD1 A:HIS74 2.3 30.0 1.0 HD1 A:HIS176 2.5 37.4 1.0 HG3 A:PRO130 2.8 29.0 1.0 HA A:HIS176 2.9 27.5 1.0 HB2 A:ASN129 2.9 34.7 1.0 HD3 A:PRO130 3.0 27.4 1.0 ND1 A:HIS74 3.1 25.0 1.0 ND1 A:HIS176 3.3 31.2 1.0 HB2 A:HIS74 3.6 25.9 1.0 HB3 A:HIS74 3.6 25.9 1.0 CG A:PRO130 3.6 24.2 1.0 HD21 A:ASN129 3.7 41.0 1.0 CD A:PRO130 3.7 22.8 1.0 HB3 A:HIS176 3.7 29.8 1.0 CA A:HIS176 3.7 22.9 1.0 CB A:ASN129 3.8 28.9 1.0 O A:HOH517 3.8 33.8 1.0 HB3 A:ASN129 3.8 34.7 1.0 CB A:HIS74 3.9 21.6 1.0 CG A:HIS74 3.9 24.4 1.0 HG2 A:PRO130 4.0 29.0 1.0 CB A:HIS176 4.0 24.8 1.0 CG A:HIS176 4.1 25.4 1.0 CE1 A:HIS74 4.1 24.2 1.0 CE1 A:HIS176 4.3 30.8 1.0 N A:PRO130 4.3 22.4 1.0 HE1 A:HIS74 4.3 29.0 1.0 C A:HIS176 4.3 24.9 1.0 O A:GLN175 4.4 27.1 1.0 ND2 A:ASN129 4.4 34.2 1.0 HE1 A:HIS176 4.4 36.9 1.0 HD2 A:PRO130 4.4 27.4 1.0 O A:HIS176 4.4 26.0 1.0 CG A:ASN129 4.6 34.6 1.0 H A:ASN129 4.7 28.0 1.0 C A:ASN129 4.8 23.2 1.0 CA A:ASN129 4.8 24.2 1.0 CB A:PRO130 4.8 23.3 1.0 N A:HIS176 4.8 22.1 1.0 O A:HOH704 4.9 55.6 1.0 HB3 A:PRO130 4.9 28.0 1.0 HB2 A:HIS176 5.0 29.8 1.0 HA A:PRO130 5.0 27.0 1.0

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