Zinc in PDB 8akg: Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Amino-6- Chlorobenzene-1,3-Disulfonamide

All present enzymatic activity of Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Amino-6- Chlorobenzene-1,3-Disulfonamide:
2.3.1.286;

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Amino-6- Chlorobenzene-1,3-Disulfonamide, PDB code: 8akg 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)	45.57 / 1.82
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.132, 91.132, 143.282, 90, 90, 120
R / Rfree (%)	17.3 / 19.3

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Amino-6- Chlorobenzene-1,3-Disulfonamide also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Zinc atom in the Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Amino-6- Chlorobenzene-1,3-Disulfonamide (pdb code 8akg). 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-Amino-6- Chlorobenzene-1,3-Disulfonamide, PDB code: 8akg:
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-Amino-6- Chlorobenzene-1,3-Disulfonamide


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-Amino-6- Chlorobenzene-1,3-Disulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:49.0 occ:1.00 SG A:CYS144 2.3 47.4 1.0 SG A:CYS166 2.3 47.1 1.0 SG A:CYS141 2.3 45.1 1.0 SG A:CYS177 2.4 52.2 1.0 CB A:CYS166 3.0 46.4 1.0 CB A:CYS141 3.2 45.8 1.0 CB A:CYS144 3.3 49.9 1.0 CB A:CYS177 3.3 55.3 1.0 N A:CYS144 3.8 50.4 1.0 CA A:CYS144 4.1 46.8 1.0 CA A:CYS166 4.4 44.5 1.0 CB A:VAL168 4.5 41.6 1.0 CG2 A:VAL168 4.6 42.3 1.0 CB A:LYS143 4.6 56.3 1.0 CA A:CYS141 4.6 45.7 1.0 CA A:GLY179 4.7 54.5 1.0 N A:GLY179 4.7 55.3 1.0 CA A:CYS177 4.8 52.6 1.0 C A:CYS144 4.8 45.8 1.0 CB A:THR146 4.8 46.3 1.0 C A:LYS143 4.8 51.5 1.0

Zinc binding site 2 out of 2 in the Human SIRT6 in Complex with Adp-Ribose and Fragment 4-Amino-6- Chlorobenzene-1,3-Disulfonamide


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-Amino-6- Chlorobenzene-1,3-Disulfonamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:59.3 occ:1.00 SG B:CYS144 2.2 53.3 1.0 SG B:CYS141 2.2 56.6 1.0 SG B:CYS166 2.4 55.5 1.0 SG B:CYS177 2.4 57.1 1.0 CB B:CYS166 3.0 53.9 1.0 CB B:CYS141 3.1 54.1 1.0 CB B:CYS144 3.3 53.9 1.0 CB B:CYS177 3.4 58.0 1.0 N B:CYS144 3.7 58.8 1.0 CA B:CYS144 4.0 54.5 1.0 CA B:CYS166 4.5 52.4 1.0 CB B:LYS143 4.5 71.1 1.0 CA B:GLY179 4.5 61.3 1.0 CA B:CYS141 4.6 54.5 1.0 N B:GLY179 4.6 61.1 1.0 CB B:VAL168 4.7 57.0 1.0 C B:LYS143 4.7 63.4 1.0 C B:CYS144 4.8 54.7 1.0 CG2 B:VAL168 4.8 56.0 1.0 CA B:CYS177 4.8 58.6 1.0 CB B:THR146 4.9 51.5 1.0 N B:LYS145 5.0 59.2 1.0 CA B:LYS143 5.0 66.7 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.