Chlorine in PDB 7kol: The Crystal Structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER496

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER496, PDB code: 7kol 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)	45.57 / 2.58
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	114.178, 114.178, 220.531, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 20.6

The structure of The Crystal Structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER496 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 in Complex with PLP_SNYDER496 (pdb code 7kol). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER496, PDB code: 7kol:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER496


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 in Complex with PLP_SNYDER496 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:93.5 occ:1.00 ZN A:ZN504 2.3 90.6 1.0 CD2 A:HIS175 3.5 89.7 1.0 CG A:PRO129 3.5 71.1 1.0 CD A:PRO129 3.6 72.1 1.0 ND1 A:HIS73 3.7 75.8 1.0 CA A:HIS175 3.8 76.3 1.0 CB A:ASN128 3.9 89.7 1.0 CB A:HIS73 3.9 74.9 1.0 CB A:HIS175 4.0 81.3 1.0 CG A:HIS175 4.1 88.7 1.0 O A:HIS175 4.1 85.3 1.0 CL A:CL507 4.1 0.5 1.0 CG A:HIS73 4.2 76.0 1.0 ND2 A:ASN128 4.3 96.2 1.0 C A:HIS175 4.3 76.7 1.0 N A:PRO129 4.4 75.9 1.0 NE2 A:HIS175 4.6 91.7 1.0 O A:GLN174 4.6 80.0 1.0 CG A:ASN128 4.6 95.4 1.0 CE1 A:HIS73 4.8 76.7 1.0 CB A:PRO129 4.8 72.2 1.0 CA A:ASN128 4.8 83.5 1.0 C A:ASN128 4.9 79.7 1.0 N A:HIS175 4.9 76.4 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER496


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 in Complex with PLP_SNYDER496 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:0.5 occ:1.00 ZN A:ZN504 2.6 90.6 1.0 O A:HIS73 3.5 82.9 1.0 ND1 A:HIS73 3.7 75.8 1.0 CB A:HIS73 3.7 74.9 1.0 CG A:HIS73 4.1 76.0 1.0 CL A:CL506 4.1 93.5 1.0 CZ A:PHE69 4.3 82.8 1.0 CE1 A:PHE69 4.3 77.0 1.0 CA A:HIS73 4.4 74.5 1.0 C A:HIS73 4.4 77.8 1.0 CE1 A:HIS73 4.7 76.7 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER496


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER496 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:0.8 occ:1.00 ZN A:ZN503 2.9 1.0 1.0 ND1 A:HIS89 3.4 87.2 1.0 CD A:LYS92 3.9 0.7 1.0 NZ A:LYS92 3.9 0.8 1.0 CE1 A:HIS89 4.1 89.7 1.0 CA A:HIS89 4.1 87.1 1.0 CG A:HIS89 4.1 86.8 1.0 O A:ASN88 4.3 94.5 1.0 CB A:HIS89 4.4 85.5 1.0 CE A:LYS92 4.5 0.2 1.0 CB A:LYS92 4.5 0.7 1.0 CG A:LYS92 4.5 0.9 1.0 O A:HIS89 4.9 86.0 1.0 OD2 A:ASP108 4.9 89.8 1.0 N A:HIS89 4.9 86.2 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER496


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER496 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:0.9 occ:1.00 ZN A:ZN505 2.7 91.6 1.0 CE3 A:TRP106 3.5 0.4 1.0 CD2 A:TRP106 3.5 0.9 1.0 CA A:ASN109 3.6 90.5 1.0 N A:CYS111 3.8 80.6 1.0 N A:ASN110 3.8 87.2 1.0 ND1 A:HIS272 3.8 0.4 1.0 CE1 A:HIS272 3.8 0.3 1.0 CZ3 A:TRP106 3.9 0.9 1.0 C A:ASN109 3.9 89.3 1.0 CE2 A:TRP106 4.0 1.0 1.0 CB A:CYS111 4.0 84.4 1.0 CG A:TRP106 4.0 0.1 1.0 N A:ASN109 4.0 89.2 1.0 O A:HOH615 4.2 85.5 1.0 CH2 A:TRP106 4.3 0.2 1.0 OD1 A:ASN110 4.3 86.4 1.0 CZ2 A:TRP106 4.3 0.2 1.0 OD1 A:ASN109 4.3 0.2 1.0 CA A:CYS111 4.4 81.9 1.0 SG A:CYS111 4.4 83.3 1.0 CB A:TRP106 4.5 0.1 1.0 CD1 A:TRP106 4.6 0.8 1.0 NE1 A:TRP106 4.6 0.1 1.0 C A:ASN110 4.7 80.4 1.0 O A:ALA107 4.7 87.4 1.0 O A:ASN109 4.7 88.7 1.0 N A:ALA107 4.8 99.0 1.0 CB A:ASN109 4.8 93.6 1.0 CA A:ASN110 4.8 83.2 1.0 CA A:TRP106 4.9 0.3 1.0 CG A:HIS272 4.9 0.2 1.0 NE2 A:HIS272 4.9 0.6 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 in Complex with PLP_SNYDER496 To Be Published.