Zinc in PDB 8ak5: Human SIRT6 in Complex with Adp-Ribose and Fragment Pyroglutamic Acid

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

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment Pyroglutamic Acid, PDB code: 8ak5 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)	45.49 / 2.12
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	90.986, 90.986, 144.318, 90, 90, 120
R / Rfree (%)	19.1 / 22.2

The binding sites of Zinc atom in the Human SIRT6 in Complex with Adp-Ribose and Fragment Pyroglutamic Acid (pdb code 8ak5). 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 Pyroglutamic Acid, PDB code: 8ak5:
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 Pyroglutamic Acid


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 Pyroglutamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:79.8 occ:1.00 SG A:CYS144 2.3 79.0 1.0 SG A:CYS141 2.3 67.5 1.0 SG A:CYS177 2.3 87.5 1.0 SG A:CYS166 2.3 63.2 1.0 CB A:CYS166 3.1 68.7 1.0 CB A:CYS141 3.2 66.7 1.0 CB A:CYS177 3.3 80.2 1.0 CB A:CYS144 3.4 77.9 1.0 N A:CYS144 3.4 73.4 1.0 CA A:CYS144 3.9 75.1 1.0 CB A:LYS143 4.2 83.2 1.0 N A:GLY179 4.5 71.3 1.0 CA A:CYS166 4.5 65.8 1.0 C A:LYS143 4.6 79.2 1.0 CA A:GLY179 4.6 75.1 1.0 OG1 A:THR146 4.6 72.0 1.0 CA A:CYS141 4.6 68.6 1.0 CA A:CYS177 4.7 74.2 1.0 C A:CYS144 4.7 73.2 1.0 N A:LYS145 4.8 75.0 1.0 CA A:LYS143 4.8 77.0 1.0 N A:LYS143 4.9 77.2 1.0 CG2 A:VAL168 4.9 81.8 1.0 CB A:VAL168 4.9 82.3 1.0 CB A:THR146 5.0 60.8 1.0

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


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 Pyroglutamic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:89.9 occ:1.00 SG B:CYS144 2.3 79.4 1.0 SG B:CYS141 2.3 98.2 1.0 SG B:CYS177 2.3 116.8 1.0 SG B:CYS166 2.3 73.2 1.0 CB B:CYS166 2.9 72.6 1.0 CB B:CYS141 3.2 87.6 1.0 CB B:CYS177 3.4 106.6 1.0 CB B:CYS144 3.4 84.9 1.0 N B:CYS144 3.6 89.1 1.0 CA B:CYS144 4.1 87.8 1.0 CB B:LYS143 4.4 95.3 1.0 CA B:CYS166 4.4 72.3 1.0 N B:GLY179 4.4 97.8 1.0 CA B:GLY179 4.5 99.4 1.0 CA B:CYS177 4.6 102.1 1.0 CA B:CYS141 4.7 92.2 1.0 OG1 B:THR146 4.7 95.1 1.0 C B:LYS143 4.8 90.0 1.0 CG2 B:VAL168 4.8 77.8 1.0 CB B:VAL168 4.9 77.7 1.0 C B:CYS144 5.0 87.7 1.0 C B:CYS177 5.0 104.6 1.0 N B:LYS145 5.0 94.2 1.0 CB B:THR146 5.0 86.2 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.