Zinc in PDB 6qcj: Human SIRT6 in Complex with Adp-Ribose and the Inhibitor Catechin Gallate

The structure of Human SIRT6 in Complex with Adp-Ribose and the Inhibitor Catechin Gallate, PDB code: 6qcj 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)	45.96 / 2.01
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.917, 91.917, 144.368, 90.00, 90.00, 120.00
R / Rfree (%)	16.3 / 19.9

The binding sites of Zinc atom in the Human SIRT6 in Complex with Adp-Ribose and the Inhibitor Catechin Gallate (pdb code 6qcj). 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 Inhibitor Catechin Gallate, PDB code: 6qcj:
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 Inhibitor Catechin Gallate


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 Inhibitor Catechin Gallate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:52.5 occ:1.00 SG A:CYS144 2.3 48.4 1.0 SG A:CYS141 2.3 59.4 1.0 SG A:CYS177 2.3 52.5 1.0 SG A:CYS166 2.4 59.6 1.0 CB A:CYS166 3.0 48.6 1.0 CB A:CYS141 3.2 52.1 1.0 CB A:CYS144 3.4 40.4 1.0 CB A:CYS177 3.5 49.8 1.0 N A:CYS144 3.9 52.3 1.0 CA A:CYS144 4.2 45.4 1.0 N A:GLY179 4.4 61.0 1.0 CB A:LYS143 4.5 65.0 1.0 CA A:CYS166 4.5 47.6 1.0 CA A:GLY179 4.6 57.9 1.0 CA A:CYS141 4.6 58.1 1.0 C A:LYS143 4.8 56.5 1.0 CA A:CYS177 4.9 55.2 1.0 CG2 A:VAL168 4.9 63.8 1.0 OG1 A:THR146 4.9 51.6 1.0 CB A:VAL168 4.9 64.6 1.0 CA A:LYS143 5.0 57.9 1.0

Zinc binding site 2 out of 2 in the Human SIRT6 in Complex with Adp-Ribose and the Inhibitor Catechin Gallate


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 Inhibitor Catechin Gallate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:56.6 occ:1.00 SG B:CYS144 2.2 54.7 1.0 SG B:CYS141 2.4 57.7 1.0 SG B:CYS177 2.4 54.7 1.0 SG B:CYS166 2.4 56.5 1.0 CB B:CYS166 3.1 51.9 1.0 CB B:CYS141 3.2 62.7 1.0 CB B:CYS144 3.3 53.3 1.0 CB B:CYS177 3.4 49.0 1.0 N B:CYS144 3.8 59.5 1.0 CA B:CYS144 4.2 53.4 1.0 CB B:LYS143 4.4 71.6 1.0 CB B:VAL168 4.5 69.3 1.0 CA B:CYS166 4.6 42.0 1.0 N B:GLY179 4.6 53.7 1.0 CA B:CYS141 4.6 64.4 1.0 CG2 B:VAL168 4.7 75.3 1.0 CA B:GLY179 4.8 61.8 1.0 CA B:CYS177 4.8 48.1 1.0 C B:LYS143 4.8 71.1 1.0 C B:CYS144 4.9 57.6 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