Zinc in PDB 8ak9: Human SIRT6 in Complex with Adp-Ribose and Fragment Isatin

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

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment Isatin, PDB code: 8ak9 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)	45.52 / 1.95
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.047, 91.047, 143.934, 90, 90, 120
R / Rfree (%)	18.7 / 22.3

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

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Human SIRT6 in Complex with Adp-Ribose and Fragment Isatin (pdb code 8ak9). 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 Isatin, PDB code: 8ak9:
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 Isatin


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 Isatin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:66.2 occ:1.00 SG A:CYS141 2.3 63.4 1.0 SG A:CYS144 2.3 74.2 1.0 SG A:CYS166 2.3 59.2 1.0 SG A:CYS177 2.4 87.2 1.0 CB A:CYS166 3.0 61.3 1.0 CB A:CYS141 3.1 63.7 1.0 CB A:CYS177 3.4 82.0 1.0 CB A:CYS144 3.4 70.6 1.0 N A:CYS144 3.8 76.5 1.0 CA A:CYS144 4.1 72.5 1.0 CA A:CYS166 4.5 61.2 1.0 N A:GLY179 4.5 68.1 1.0 CA A:GLY179 4.5 74.3 1.0 CA A:CYS141 4.6 61.3 1.0 OG1 A:THR146 4.6 64.8 1.0 CB A:LYS143 4.6 80.7 1.0 CA A:CYS177 4.8 78.1 1.0 CB A:VAL168 4.8 69.7 1.0 C A:CYS144 4.8 71.1 1.0 CB A:THR146 4.9 60.0 1.0 CG2 A:VAL168 4.9 69.3 1.0 C A:LYS143 4.9 76.8 1.0 N A:LYS145 5.0 71.7 1.0

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


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 Isatin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:79.2 occ:1.00 SG B:CYS141 2.2 74.0 1.0 SG B:CYS144 2.2 79.6 1.0 SG B:CYS166 2.4 67.3 1.0 SG B:CYS177 2.5 101.3 1.0 CB B:CYS166 2.9 68.4 1.0 CB B:CYS141 3.1 76.0 1.0 CB B:CYS144 3.4 81.0 1.0 CB B:CYS177 3.4 99.5 1.0 N B:CYS144 3.8 77.5 1.0 CA B:CYS144 4.1 76.8 1.0 CA B:CYS166 4.4 71.1 1.0 N B:GLY179 4.5 88.9 1.0 CB B:LYS143 4.5 91.3 1.0 CA B:GLY179 4.5 87.0 1.0 CA B:CYS141 4.6 76.9 1.0 OG1 B:THR146 4.7 83.8 1.0 CB B:VAL168 4.8 92.1 1.0 CA B:CYS177 4.8 96.9 1.0 C B:LYS143 4.8 84.6 1.0 CG2 B:VAL168 4.9 90.2 1.0 C B:CYS144 4.9 75.7 1.0 CB B:THR146 4.9 78.8 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.