Zinc in PDB 8cno: Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol

All present enzymatic activity of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol:
2.3.1.286;

The structure of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol, PDB code: 8cno 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)	45.64 / 1.75
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.276, 91.276, 143.23, 90, 90, 120
R / Rfree (%)	16.7 / 18.8

The structure of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Zinc atom in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol (pdb code 8cno). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol, PDB code: 8cno:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:45.9 occ:1.00 SG A:CYS144 2.3 46.1 1.0 SG A:CYS141 2.3 45.4 1.0 SG A:CYS166 2.3 42.2 1.0 SG A:CYS177 2.4 51.3 1.0 CB A:CYS166 3.1 42.0 1.0 CB A:CYS141 3.2 41.5 1.0 CB A:CYS144 3.3 43.9 1.0 CB A:CYS177 3.4 52.5 1.0 N A:CYS144 3.7 45.9 1.0 CA A:CYS144 4.0 40.2 1.0 CB A:LYS143 4.5 53.9 1.0 CA A:CYS166 4.5 42.5 1.0 CA A:CYS141 4.6 38.5 1.0 N A:GLY179 4.7 44.8 1.0 CG2 A:VAL168 4.7 43.2 1.0 CA A:GLY179 4.7 41.6 1.0 C A:LYS143 4.7 48.9 1.0 C A:CYS144 4.7 39.4 1.0 CB A:VAL168 4.7 41.9 1.0 CA A:CYS177 4.8 50.9 1.0 CB A:THR146 4.9 33.5 1.0 N A:LYS145 4.9 41.5 1.0 CA A:LYS143 5.0 48.4 1.0 OG1 A:THR146 5.0 31.1 1.0

Zinc binding site 2 out of 2 in the Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Improved Complex Structure of Human Sirtuin 6 with Its Inhibitor Cis- Resveratrol within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:49.1 occ:1.00 SG B:CYS144 2.3 46.4 1.0 SG B:CYS141 2.3 46.7 1.0 SG B:CYS166 2.3 50.9 1.0 SG B:CYS177 2.4 56.6 1.0 CB B:CYS166 2.9 45.7 1.0 CB B:CYS141 3.2 49.9 1.0 CB B:CYS177 3.3 57.1 1.0 CB B:CYS144 3.4 47.8 1.0 N B:CYS144 3.7 49.9 1.0 CA B:CYS144 4.1 48.1 1.0 CB B:LYS143 4.4 62.5 1.0 CA B:CYS166 4.4 46.4 1.0 N B:GLY179 4.5 65.3 1.0 CA B:GLY179 4.6 65.0 1.0 CA B:CYS141 4.6 48.7 1.0 CA B:CYS177 4.7 55.7 1.0 CG2 B:VAL168 4.7 51.7 1.0 C B:LYS143 4.7 56.8 1.0 CB B:VAL168 4.8 52.2 1.0 C B:CYS144 4.8 43.4 1.0 CA B:LYS143 5.0 58.7 1.0 CB B:THR146 5.0 45.5 1.0 N B:LYS145 5.0 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.