Zinc in PDB 8akb: Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Nitrocatechol

All present enzymatic activity of Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Nitrocatechol:
2.3.1.286;

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Nitrocatechol, PDB code: 8akb 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)	41.06 / 2.13
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	90.974, 90.974, 144.316, 90, 90, 120
R / Rfree (%)	21.1 / 26.1

The binding sites of Zinc atom in the Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Nitrocatechol (pdb code 8akb). 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 4-Nitrocatechol, PDB code: 8akb:
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 4-Nitrocatechol


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 4-Nitrocatechol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:71.3 occ:1.00 SG A:CYS144 2.2 76.5 1.0 SG A:CYS177 2.3 88.9 1.0 SG A:CYS141 2.3 62.8 1.0 SG A:CYS166 2.3 65.5 1.0 CB A:CYS166 3.0 63.6 1.0 CB A:CYS141 3.2 62.8 1.0 CB A:CYS144 3.3 78.0 1.0 CB A:CYS177 3.4 86.3 1.0 N A:CYS144 3.7 82.6 1.0 CA A:CYS144 4.1 78.8 1.0 CB A:LYS143 4.4 83.7 1.0 CA A:CYS166 4.5 63.7 1.0 N A:GLY179 4.5 72.2 1.0 CA A:GLY179 4.5 74.3 1.0 CG2 A:VAL168 4.6 79.3 1.0 CA A:CYS141 4.7 64.3 1.0 OG1 A:THR146 4.7 66.9 1.0 CA A:CYS177 4.7 82.8 1.0 C A:LYS143 4.7 83.3 1.0 C A:CYS144 4.8 76.4 1.0 CB A:THR146 4.9 63.4 1.0 CB A:VAL168 4.9 78.7 1.0 CA A:LYS143 5.0 83.4 1.0

Zinc binding site 2 out of 2 in the Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Nitrocatechol


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 4-Nitrocatechol within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:87.3 occ:1.00 SG B:CYS177 2.2 115.1 1.0 SG B:CYS141 2.3 85.7 1.0 SG B:CYS144 2.3 85.5 1.0 SG B:CYS166 2.3 76.5 1.0 CB B:CYS166 2.9 75.0 1.0 CB B:CYS141 3.2 82.9 1.0 CB B:CYS144 3.4 88.1 1.0 CB B:CYS177 3.4 106.1 1.0 N B:CYS144 3.7 87.9 1.0 CA B:CYS144 4.1 88.7 1.0 N B:GLY179 4.4 103.7 1.0 CB B:LYS143 4.4 88.6 1.0 CA B:GLY179 4.4 103.5 1.0 CA B:CYS166 4.4 77.0 1.0 CA B:CYS177 4.6 105.0 1.0 CA B:CYS141 4.7 86.1 1.0 CG2 B:VAL168 4.7 87.8 1.0 C B:LYS143 4.7 88.4 1.0 OG1 B:THR146 4.8 82.3 1.0 C B:CYS144 4.9 85.6 1.0 C B:CYS177 4.9 106.1 1.0 CB B:VAL168 4.9 85.9 1.0 CB B:THR146 5.0 79.1 1.0 CA B:LYS143 5.0 91.0 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.