Zinc in PDB 8aka: Human SIRT6 in Complex with Adp-Ribose and Fragment Cis-Resveratrol

All present enzymatic activity of Human SIRT6 in Complex with Adp-Ribose and Fragment Cis-Resveratrol:
2.3.1.286;

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment Cis-Resveratrol, PDB code: 8aka 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)	43.38 / 1.77
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.034, 91.034, 143.196, 90, 90, 120
R / Rfree (%)	17.9 / 20.7

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment Cis-Resveratrol also contains other interesting chemical elements:

Chlorine

(Cl)

7 atoms

The binding sites of Zinc atom in the Human SIRT6 in Complex with Adp-Ribose and Fragment Cis-Resveratrol (pdb code 8aka). 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 Fragment Cis-Resveratrol, PDB code: 8aka:
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 Fragment Cis-Resveratrol


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 Fragment Cis-Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:51.2 occ:1.00 SG A:CYS166 2.2 46.6 1.0 SG A:CYS144 2.3 56.0 1.0 SG A:CYS141 2.3 49.1 1.0 SG A:CYS177 2.4 58.9 1.0 CB A:CYS166 3.1 48.1 1.0 CB A:CYS141 3.2 42.8 1.0 CB A:CYS144 3.3 51.5 1.0 CB A:CYS177 3.4 55.4 1.0 N A:CYS144 3.6 51.6 1.0 CA A:CYS144 4.0 49.5 1.0 CB A:LYS143 4.4 56.6 1.0 CA A:CYS166 4.5 43.8 1.0 N A:GLY179 4.6 49.5 1.0 CA A:GLY179 4.6 47.6 1.0 CA A:CYS141 4.6 45.1 1.0 CG2 A:VAL168 4.7 43.4 1.0 C A:LYS143 4.7 52.8 1.0 C A:CYS144 4.7 44.3 1.0 CA A:CYS177 4.8 55.8 1.0 CB A:THR146 4.8 45.1 1.0 OG1 A:THR146 4.8 44.6 1.0 CB A:VAL168 4.9 45.9 1.0 N A:LYS145 4.9 44.5 1.0 CA A:LYS143 5.0 53.9 1.0

Zinc binding site 2 out of 2 in the Human SIRT6 in Complex with Adp-Ribose and Fragment Cis-Resveratrol


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 Fragment Cis-Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:60.4 occ:1.00 SG B:CYS144 2.2 53.1 1.0 SG B:CYS166 2.2 52.8 1.0 SG B:CYS141 2.3 62.2 1.0 SG B:CYS177 2.4 72.9 1.0 CB B:CYS166 3.0 53.4 1.0 CB B:CYS141 3.1 57.6 1.0 CB B:CYS144 3.4 60.0 1.0 CB B:CYS177 3.4 66.1 1.0 N B:CYS144 3.7 64.8 1.0 CA B:CYS144 4.1 56.8 1.0 CB B:LYS143 4.4 72.5 1.0 CA B:CYS166 4.5 51.1 1.0 CA B:GLY179 4.5 68.5 1.0 N B:GLY179 4.5 68.1 1.0 CA B:CYS141 4.6 57.9 1.0 C B:LYS143 4.8 67.0 1.0 CG2 B:VAL168 4.8 57.2 1.0 CA B:CYS177 4.8 65.5 1.0 C B:CYS144 4.8 52.2 1.0 CB B:THR146 4.9 50.9 1.0 CB B:VAL168 4.9 57.2 1.0 OG1 B:THR146 4.9 47.5 1.0 CA B:LYS143 5.0 72.4 1.0 N B:LYS143 5.0 71.7 1.0

W.You, C.Steegborn. Development of Novel Sirtuin 6 Inhibitors and Activators Based on A Protein Crystallography-Based Fragment Screen To Be Published.