Zinc in PDB 7ed5: A Dual Mechanism of Action of at-527 Against Sars-Cov-2 Polymerase

All present enzymatic activity of A Dual Mechanism of Action of at-527 Against Sars-Cov-2 Polymerase:
2.7.7.48;

The structure of A Dual Mechanism of Action of at-527 Against Sars-Cov-2 Polymerase also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Magnesium	(Mg)	3 atoms

The binding sites of Zinc atom in the A Dual Mechanism of Action of at-527 Against Sars-Cov-2 Polymerase (pdb code 7ed5). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the A Dual Mechanism of Action of at-527 Against Sars-Cov-2 Polymerase, PDB code: 7ed5:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the A Dual Mechanism of Action of at-527 Against Sars-Cov-2 Polymerase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of A Dual Mechanism of Action of at-527 Against Sars-Cov-2 Polymerase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:84.8 occ:1.00 CB A:CYS306 1.8 66.4 1.0 ND1 A:HIS295 2.1 57.2 1.0 SG A:CYS301 2.3 64.5 1.0 SG A:CYS310 2.3 61.1 1.0 SG A:CYS306 2.4 66.4 1.0 CE1 A:HIS295 2.7 57.2 1.0 CA A:CYS306 2.9 66.4 1.0 CG A:HIS295 3.3 57.2 1.0 C A:CYS306 3.4 66.4 1.0 O A:CYS306 3.4 66.4 1.0 CB A:CYS301 3.7 64.5 1.0 CB A:CYS310 3.8 61.1 1.0 CB A:HIS295 3.9 57.2 1.0 NE2 A:HIS295 4.0 57.2 1.0 CA A:CYS301 4.1 64.5 1.0 N A:CYS306 4.1 66.4 1.0 CD2 A:HIS295 4.3 57.2 1.0 N A:HIS295 4.3 57.2 1.0 N A:ILE307 4.4 64.4 1.0 O A:THR293 4.5 60.6 1.0 CA A:HIS295 4.7 57.2 1.0 N A:CYS310 4.8 61.1 1.0 N A:CYS301 5.0 64.5 1.0 CA A:CYS310 5.0 61.1 1.0

Zinc binding site 2 out of 2 in the A Dual Mechanism of Action of at-527 Against Sars-Cov-2 Polymerase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of A Dual Mechanism of Action of at-527 Against Sars-Cov-2 Polymerase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1002 b:83.9 occ:1.00 ND1 A:HIS642 2.1 66.8 1.0 SG A:CYS487 2.3 67.3 1.0 SG A:CYS646 2.3 71.1 1.0 SG A:CYS645 2.3 71.3 1.0 CE1 A:HIS642 2.6 66.8 1.0 CG A:HIS642 3.3 66.8 1.0 CB A:CYS646 3.4 71.1 1.0 CB A:CYS487 3.4 67.3 1.0 CE1 A:PHE571 3.7 64.8 1.0 CB A:CYS645 3.7 71.3 1.0 NE2 A:HIS642 3.8 66.8 1.0 N A:CYS487 3.9 67.3 1.0 N A:CYS646 3.9 71.1 1.0 CB A:HIS642 4.0 66.8 1.0 CD2 A:HIS642 4.1 66.8 1.0 NZ A:LYS532 4.1 61.3 1.0 CA A:CYS646 4.2 71.1 1.0 CD1 A:PHE571 4.2 64.8 1.0 CA A:CYS487 4.2 67.3 1.0 C A:CYS645 4.3 71.3 1.0 CE A:LYS532 4.6 61.3 1.0 CA A:CYS645 4.6 71.3 1.0 C A:GLY486 4.6 66.2 1.0 CZ A:PHE571 4.6 64.8 1.0 O A:CYS645 4.8 71.3 1.0 CA A:HIS642 4.8 66.8 1.0 CA A:GLY486 4.9 66.2 1.0

A.Shannon, V.Fattorini, B.Sama, B.Selisko, M.Feracci, C.Falcou, P.Gauffre, P.El Kazzi, A.Delpal, E.Decroly, K.Alvarez, C.Eydoux, J.C.Guillemot, A.Moussa, S.S.Good, P.La Colla, K.Lin, J.P.Sommadossi, Y.Zhu, X.Yan, H.Shi, F.Ferron, B.Canard. A Dual Mechanism of Action of at-527 Against Sars-Cov-2 Polymerase. Nat Commun V. 13 621 2022.
ISSN: ESSN 2041-1723
PubMed: 35110538
DOI: 10.1038/S41467-022-28113-1