Chlorine in PDB 7sgw: Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER630 Inhibitor

Enzymatic activity of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER630 Inhibitor

All present enzymatic activity of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER630 Inhibitor:
3.4.19.12; 3.4.22.69;

Protein crystallography data

The structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER630 Inhibitor, PDB code: 7sgw 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) 49.05 / 1.95
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 82.272, 82.272, 134.995, 90, 90, 120
R / Rfree (%) 17.6 / 20.7

Other elements in 7sgw:

The structure of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER630 Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER630 Inhibitor (pdb code 7sgw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER630 Inhibitor, PDB code: 7sgw:

Chlorine binding site 1 out of 1 in 7sgw

Go back to Chlorine Binding Sites List in 7sgw
Chlorine binding site 1 out of 1 in the Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER630 Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER630 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:43.0
occ:1.00
 O A:HOH640 3.1 43.7 1.0
O A:HOH630 3.1 51.3 1.0
N A:PHE127 3.2 38.8 1.0
CG A:LYS126 3.8 49.7 0.6
CA A:LYS126 3.8 41.4 0.4
CA A:LYS126 3.8 42.1 0.6
CA A:GLN133 3.9 36.9 1.0
CG A:GLN133 3.9 39.0 1.0
CD2 A:PHE127 3.9 38.0 1.0
CB A:PHE127 4.0 37.8 1.0
C A:LYS126 4.0 40.5 1.0
CD2 A:TYR136 4.1 40.0 1.0
CA A:PHE127 4.1 40.4 1.0
CB A:GLN133 4.3 37.1 1.0
O A:PHE127 4.3 40.8 1.0
CB A:LYS126 4.4 44.2 0.4
CG A:PHE127 4.4 36.1 1.0
CB A:LYS126 4.4 46.5 0.6
O A:GLN133 4.6 37.2 1.0
O A:LEU125 4.6 43.9 1.0
C A:PHE127 4.7 41.2 1.0
N A:GLN133 4.7 35.6 1.0
C A:GLN133 4.8 37.4 1.0
CB A:TYR136 4.8 36.3 1.0
CE2 A:TYR136 4.9 45.1 1.0
CG A:TYR136 5.0 37.2 1.0
CG A:LYS126 5.0 46.2 0.4

Reference:

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). Papain-Like Protease of Sars Cov-2 in Complex with PLP_SNYDER630 Inhibitor To Be Published.
Page generated: Fri Nov 5 12:43:20 2021

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