Zinc in PDB 7nwx: Sars-COV2 NSP5 in the Presence of ZN2+

The structure of Sars-COV2 NSP5 in the Presence of ZN2+, PDB code: 7nwx was solved by V.Calderone, D.Grifagni, F.Cantini, M.Fragai, L.Banci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.42 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.62, 53.36, 44.65, 90, 102.03, 90
R / Rfree (%)	20.4 / 24.5

The binding sites of Zinc atom in the Sars-COV2 NSP5 in the Presence of ZN2+ (pdb code 7nwx). 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 Sars-COV2 NSP5 in the Presence of ZN2+, PDB code: 7nwx:

Zinc binding site 1 out of 1 in the Sars-COV2 NSP5 in the Presence of ZN2+


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Sars-COV2 NSP5 in the Presence of ZN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:27.2 occ:1.00 O A:HOH567 2.2 23.9 0.7 NE2 A:HIS41 2.3 19.0 1.0 O A:HOH568 2.3 23.3 1.0 SG A:CYS145 2.3 19.7 1.0 O A:HOH575 2.8 30.1 1.0 CB A:CYS145 3.2 17.5 1.0 CD2 A:HIS41 3.2 19.4 1.0 CE1 A:HIS41 3.2 18.3 1.0 O A:HOH534 3.8 29.3 1.0 O A:HIS164 4.0 19.9 1.0 ND1 A:HIS41 4.3 16.6 1.0 CG A:HIS41 4.4 18.0 1.0 CD2 A:LEU27 4.5 16.8 1.0 CA A:CYS145 4.6 16.9 1.0 N A:CYS145 4.9 16.4 1.0

D.Grifagni, V.Calderone, S.Giuntini, F.Cantini, M.Fragai, L.Banci. Sars-Cov-2 M Pro Inhibition By A Zinc Ion: Structural Features and Hints For Drug Design. Chem.Commun.(Camb.) V. 57 7910 2021.
ISSN: ESSN 1364-548X
PubMed: 34278402
DOI: 10.1039/D1CC02956H