Chlorine in PDB 7krx: The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with PLP_SNYDER441

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with PLP_SNYDER441, PDB code: 7krx was solved by J.Osipiuk, C.Tesar, M.Endres, V.Lisnyak, S.Maki, C.Taylor, Y.Zhang, Z.Zhou, S.A.Azizi, K.Jones, R.Kathayat, S.A.Snyder, B.C.Dickinson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.85 / 2.72
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	114.333, 114.333, 219.573, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 24.9

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with PLP_SNYDER441 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with PLP_SNYDER441 (pdb code 7krx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with PLP_SNYDER441, PDB code: 7krx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with PLP_SNYDER441


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with PLP_SNYDER441 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:0.8 occ:1.00 ZN A:ZN505 2.0 0.8 1.0 CD2 A:HIS175 3.3 0.9 1.0 CG A:PRO129 3.6 79.3 1.0 ND1 A:HIS73 3.7 83.5 1.0 CD A:PRO129 3.8 85.2 1.0 CB A:HIS73 3.8 79.7 1.0 CL A:CL507 3.8 0.2 1.0 CA A:HIS175 3.8 97.4 1.0 CG A:HIS175 3.8 0.1 1.0 CB A:ASN128 3.9 0.4 1.0 CB A:HIS175 3.9 0.7 1.0 CG A:HIS73 4.1 81.4 1.0 O A:HIS175 4.2 94.2 1.0 ND2 A:ASN128 4.2 0.2 1.0 NE2 A:HIS175 4.3 0.8 1.0 C A:HIS175 4.4 96.2 1.0 O A:GLN174 4.5 97.0 1.0 N A:PRO129 4.5 85.9 1.0 CG A:ASN128 4.6 0.2 1.0 CE1 A:HIS73 4.8 93.2 1.0 CB A:PRO129 4.8 81.0 1.0 O A:HIS73 4.9 94.4 1.0 CA A:ASN128 5.0 95.7 1.0 N A:HIS175 5.0 91.2 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with PLP_SNYDER441


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with PLP_SNYDER441 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:0.2 occ:1.00 ZN A:ZN505 2.5 0.8 1.0 O A:HIS73 3.4 94.4 1.0 CL A:CL506 3.8 0.8 1.0 CB A:HIS73 3.8 79.7 1.0 ND1 A:HIS73 3.9 83.5 1.0 CZ A:PHE69 4.1 91.0 1.0 CG A:HIS73 4.2 81.4 1.0 CE1 A:PHE69 4.3 86.3 1.0 C A:HIS73 4.3 82.5 1.0 CA A:HIS73 4.4 82.4 1.0 CE1 A:HIS73 5.0 93.2 1.0

J.Osipiuk, C.Tesar, M.Endres, V.Lisnyak, S.Maki, C.Taylor, Y.Zhang, Z.Zhou, S.A.Azizi, K.Jones, R.Kathayat, S.A.Snyder, B.C.Dickinson, A.Joachimiak, Center For Structural Genomics Of Infectious Diseases(Csgid). The Crystal Structure of Papain-Like Protease of Sars Cov-2, C111S Mutant, in Complex with PLP_SNYDER441 To Be Published.