Zinc in PDB 6qce: Human SIRT6 in Complex with Adp-Ribose and the Activator Isoquercetin

The structure of Human SIRT6 in Complex with Adp-Ribose and the Activator Isoquercetin, PDB code: 6qce was solved by W.You, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.57 / 1.90
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.413, 91.413, 144.158, 90.00, 90.00, 120.00
R / Rfree (%)	15.2 / 18.7

The binding sites of Zinc atom in the Human SIRT6 in Complex with Adp-Ribose and the Activator Isoquercetin (pdb code 6qce). 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 SIRT6 in Complex with Adp-Ribose and the Activator Isoquercetin, PDB code: 6qce:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human SIRT6 in Complex with Adp-Ribose and the Activator Isoquercetin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human SIRT6 in Complex with Adp-Ribose and the Activator Isoquercetin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:62.0 occ:1.00 SG A:CYS144 2.0 61.5 1.0 SG A:CYS141 2.3 50.9 1.0 SG A:CYS166 2.3 54.4 1.0 SG A:CYS177 2.5 68.8 1.0 CB A:CYS166 3.0 54.9 1.0 CB A:CYS141 3.1 47.3 1.0 CB A:CYS144 3.2 65.3 1.0 CB A:CYS177 3.5 68.2 1.0 N A:CYS144 3.6 64.5 1.0 CA A:CYS144 4.0 61.7 1.0 CA A:CYS166 4.5 47.2 1.0 N A:GLY179 4.5 65.1 1.0 CG2 A:VAL168 4.5 59.6 1.0 CA A:CYS141 4.6 46.4 1.0 CB A:LYS143 4.6 80.0 1.0 CA A:GLY179 4.6 52.0 1.0 CB A:VAL168 4.6 61.2 1.0 C A:CYS144 4.7 56.3 1.0 C A:LYS143 4.8 67.1 1.0 N A:LYS145 4.9 55.9 1.0 CB A:THR146 4.9 52.4 1.0 CA A:CYS177 4.9 61.6 1.0 OG1 A:THR146 4.9 54.9 1.0

Zinc binding site 2 out of 2 in the Human SIRT6 in Complex with Adp-Ribose and the Activator Isoquercetin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human SIRT6 in Complex with Adp-Ribose and the Activator Isoquercetin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:69.7 occ:1.00 SG B:CYS144 1.9 63.4 1.0 SG B:CYS141 2.2 61.8 1.0 SG B:CYS166 2.3 60.9 1.0 SG B:CYS177 2.6 74.3 1.0 CB B:CYS166 2.9 58.0 1.0 CB B:CYS141 2.9 63.9 1.0 CB B:CYS144 3.3 77.4 1.0 N B:CYS144 3.5 78.4 1.0 CB B:CYS177 3.6 73.0 1.0 CA B:CYS144 3.9 71.0 1.0 N B:GLY179 4.4 70.5 1.0 CB B:LYS143 4.4 78.4 1.0 CA B:CYS141 4.4 66.5 1.0 CA B:GLY179 4.4 67.7 1.0 CA B:CYS166 4.4 56.1 1.0 C B:LYS143 4.6 73.9 1.0 C B:CYS144 4.6 65.1 1.0 N B:LYS145 4.8 70.2 1.0 CG2 B:VAL168 4.8 72.4 1.0 CA B:LYS143 4.9 77.9 1.0 CB B:VAL168 4.9 76.9 1.0 N B:LYS143 4.9 79.3 1.0 C B:CYS141 4.9 70.0 1.0 CB B:THR146 5.0 66.6 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