Zinc in PDB 8cnm: Human SIRT6 in Complex with the Inhibitor S6020 and Adp-Ribose

All present enzymatic activity of Human SIRT6 in Complex with the Inhibitor S6020 and Adp-Ribose:
2.3.1.286;

The structure of Human SIRT6 in Complex with the Inhibitor S6020 and Adp-Ribose, PDB code: 8cnm 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)	45.68 / 1.88
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.359, 91.359, 142.962, 90, 90, 120
R / Rfree (%)	19.3 / 22.7

The structure of Human SIRT6 in Complex with the Inhibitor S6020 and Adp-Ribose also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Human SIRT6 in Complex with the Inhibitor S6020 and Adp-Ribose (pdb code 8cnm). 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 the Inhibitor S6020 and Adp-Ribose, PDB code: 8cnm:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human SIRT6 in Complex with the Inhibitor S6020 and Adp-Ribose


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 the Inhibitor S6020 and Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:49.5 occ:1.00 SG A:CYS144 2.3 53.9 1.0 SG A:CYS166 2.3 46.5 1.0 SG A:CYS141 2.3 48.1 1.0 SG A:CYS177 2.3 52.1 1.0 CB A:CYS166 3.0 43.6 1.0 CB A:CYS141 3.2 46.3 1.0 CB A:CYS177 3.3 49.3 1.0 CB A:CYS144 3.3 52.8 1.0 N A:CYS144 3.8 54.9 1.0 CA A:CYS144 4.1 49.8 1.0 N A:GLY179 4.3 50.5 1.0 CA A:GLY179 4.4 53.4 1.0 CA A:CYS166 4.5 42.3 1.0 CB A:LYS143 4.6 62.5 1.0 CA A:CYS141 4.7 47.5 1.0 CA A:CYS177 4.7 50.1 1.0 C A:LYS143 4.8 57.8 1.0 C A:CYS144 4.8 44.1 1.0 CB A:VAL168 4.9 50.3 1.0 CB A:THR146 5.0 44.5 1.0 C A:CYS177 5.0 48.8 1.0

Zinc binding site 2 out of 2 in the Human SIRT6 in Complex with the Inhibitor S6020 and Adp-Ribose


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 the Inhibitor S6020 and Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:54.7 occ:1.00 SG B:CYS144 2.3 51.7 1.0 SG B:CYS166 2.3 56.0 1.0 SG B:CYS141 2.3 60.8 1.0 SG B:CYS177 2.3 61.7 1.0 CB B:CYS166 3.0 54.1 1.0 CB B:CYS141 3.2 59.8 1.0 CB B:CYS177 3.3 60.6 1.0 CB B:CYS144 3.3 56.3 1.0 N B:CYS144 3.7 56.1 1.0 CA B:CYS144 4.1 56.3 1.0 N B:GLY179 4.4 60.5 1.0 CA B:GLY179 4.4 59.2 1.0 CB B:LYS143 4.5 70.4 1.0 CA B:CYS166 4.5 50.2 1.0 CA B:CYS177 4.7 60.8 1.0 CA B:CYS141 4.7 56.4 1.0 C B:LYS143 4.8 60.9 1.0 C B:CYS144 4.8 54.1 1.0 CB B:VAL168 4.8 58.1 1.0 C B:CYS177 4.9 60.7 1.0 CB B:THR146 4.9 52.0 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.