Zinc in PDB 6qcn: Human SIRT2 in Complex with Adp-Ribose and the Inhibitor Quercetin

The structure of Human SIRT2 in Complex with Adp-Ribose and the Inhibitor Quercetin, PDB code: 6qcn was solved by S.Riemer, W.You, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.22 / 2.23
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.214, 78.302, 114.528, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 23.4

The binding sites of Zinc atom in the Human SIRT2 in Complex with Adp-Ribose and the Inhibitor Quercetin (pdb code 6qcn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human SIRT2 in Complex with Adp-Ribose and the Inhibitor Quercetin, PDB code: 6qcn:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human SIRT2 in Complex with Adp-Ribose and the Inhibitor Quercetin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human SIRT2 in Complex with Adp-Ribose and the Inhibitor Quercetin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:61.0 occ:1.00 SG A:CYS224 2.2 54.1 1.0 SG A:CYS200 2.3 54.2 1.0 SG A:CYS221 2.3 59.4 1.0 SG A:CYS195 2.3 60.3 1.0 CB A:CYS221 3.1 58.7 1.0 CB A:CYS200 3.1 68.9 1.0 CB A:CYS224 3.2 58.0 1.0 CB A:CYS195 3.4 62.2 1.0 N A:CYS224 3.7 60.9 1.0 CA A:CYS224 4.0 55.1 1.0 CA A:CYS200 4.5 64.1 1.0 CB A:ASP223 4.6 71.5 1.0 CA A:CYS221 4.6 64.0 1.0 CB A:HIS202 4.6 73.6 1.0 N A:ARG201 4.6 74.1 1.0 C A:ASP223 4.7 67.4 1.0 N A:HIS202 4.7 69.1 1.0 C A:CYS224 4.7 52.7 1.0 CA A:CYS195 4.7 57.1 1.0 CB A:SER226 4.7 54.9 1.0 CB A:SER197 4.8 64.8 1.0 C A:CYS200 4.8 73.2 1.0 N A:GLN225 4.9 52.8 1.0 N A:SER226 4.9 48.7 1.0 CA A:ASP223 5.0 70.1 1.0

Zinc binding site 2 out of 2 in the Human SIRT2 in Complex with Adp-Ribose and the Inhibitor Quercetin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human SIRT2 in Complex with Adp-Ribose and the Inhibitor Quercetin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:81.1 occ:1.00 SG B:CYS200 2.3 72.3 1.0 SG B:CYS221 2.3 87.4 1.0 SG B:CYS224 2.3 92.3 1.0 SG B:CYS195 2.4 61.9 1.0 CB B:CYS221 2.7 82.9 1.0 CB B:CYS195 3.1 71.7 1.0 CB B:CYS224 3.3 85.2 1.0 CB B:CYS200 3.5 90.4 1.0 N B:CYS224 3.9 86.9 1.0 CA B:CYS224 4.1 85.4 1.0 CA B:CYS221 4.2 83.0 1.0 N B:GLN225 4.4 91.2 1.0 C B:CYS224 4.5 84.9 1.0 CB B:HIS202 4.5 83.4 1.0 CA B:CYS195 4.6 69.5 1.0 CB B:SER226 4.6 57.1 1.0 N B:HIS202 4.6 74.8 1.0 N B:SER226 4.7 72.4 1.0 N B:ARG201 4.7 72.6 1.0 CB B:SER197 4.7 80.6 1.0 O B:CYS221 4.7 96.9 1.0 CA B:CYS200 4.8 85.2 1.0 C B:CYS221 4.9 86.6 1.0 OG B:SER226 4.9 61.9 1.0 O B:SER226 4.9 62.8 1.0 C B:CYS200 5.0 86.6 1.0

W.You, W.Zheng, S.Weiss, K.F.Chua, C.Steegborn. Structural Basis For the Activation and Inhibition of Sirtuin 6 By Quercetin and Its Derivatives. Sci Rep V. 9 19176 2019.
ISSN: ESSN 2045-2322
PubMed: 31844103
DOI: 10.1038/S41598-019-55654-1