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Zinc in PDB 6wx4: Crystal Structure of the Sars Cov-2 Papain-Like Protease in Complex with Peptide Inhibitor VIR251

Enzymatic activity of Crystal Structure of the Sars Cov-2 Papain-Like Protease in Complex with Peptide Inhibitor VIR251

All present enzymatic activity of Crystal Structure of the Sars Cov-2 Papain-Like Protease in Complex with Peptide Inhibitor VIR251:
3.4.19.12;

Protein crystallography data

The structure of Crystal Structure of the Sars Cov-2 Papain-Like Protease in Complex with Peptide Inhibitor VIR251, PDB code: 6wx4 was solved by Z.Lv, S.K.Olsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 90.73 / 1.66
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 44.869, 113.482, 151.048, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 19.6

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Sars Cov-2 Papain-Like Protease in Complex with Peptide Inhibitor VIR251 (pdb code 6wx4). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Crystal Structure of the Sars Cov-2 Papain-Like Protease in Complex with Peptide Inhibitor VIR251, PDB code: 6wx4:

Zinc binding site 1 out of 1 in 6wx4

Go back to Zinc Binding Sites List in 6wx4
Zinc binding site 1 out of 1 in the Crystal Structure of the Sars Cov-2 Papain-Like Protease in Complex with Peptide Inhibitor VIR251


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of the Sars Cov-2 Papain-Like Protease in Complex with Peptide Inhibitor VIR251 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn501

b:55.9
occ:1.00
SG D:CYS226 2.3 58.8 1.0
SG D:CYS192 2.3 62.8 1.0
SG D:CYS189 2.4 44.9 1.0
SG D:CYS224 2.4 58.4 1.0
CB D:CYS189 3.2 42.8 1.0
CB D:CYS226 3.4 64.8 1.0
CB D:CYS224 3.4 61.1 1.0
CB D:CYS192 3.4 60.6 1.0
N D:CYS192 4.1 57.2 1.0
N D:CYS226 4.2 72.1 1.0
CA D:CYS226 4.4 64.1 1.0
CA D:CYS192 4.4 59.2 1.0
CA D:CYS189 4.7 39.0 1.0
CA D:CYS224 4.8 52.7 1.0
CB D:LYS228 4.8 48.3 1.0
CB D:THR191 5.0 57.8 1.0

Reference:

W.Rut, Z.Lv, M.Zmudzinski, S.Patchett, D.Nayak, S.J.Snipas, F.El Oualid, T.T.Huang, M.Bekes, M.Drag, S.K.Olsen. Activity Profiling and Structures of Inhibitor-Bound Sars-Cov-2-Plpro Protease Provides A Framework For Anti-Covid-19 Drug Design To Be Published.
Page generated: Tue Oct 29 10:26:03 2024

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