Zinc in PDB 8ak7: Human SIRT6 in Complex with Adp-Ribose and Fragment 6-O-Methylguanine

All present enzymatic activity of Human SIRT6 in Complex with Adp-Ribose and Fragment 6-O-Methylguanine:
2.3.1.286;

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment 6-O-Methylguanine, PDB code: 8ak7 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)	43.40 / 1.81
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.072, 91.072, 143.251, 90, 90, 120
R / Rfree (%)	20.1 / 23.3

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment 6-O-Methylguanine 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 6-O-Methylguanine (pdb code 8ak7). 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 6-O-Methylguanine, PDB code: 8ak7:
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 6-O-Methylguanine


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 6-O-Methylguanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:60.5 occ:1.00 SG A:CYS144 2.2 63.1 1.0 SG A:CYS141 2.3 61.2 1.0 SG A:CYS166 2.3 56.5 1.0 SG A:CYS177 2.4 71.9 1.0 CB A:CYS166 3.0 58.5 1.0 CB A:CYS141 3.1 59.5 1.0 CB A:CYS177 3.3 68.8 1.0 CB A:CYS144 3.3 59.3 1.0 N A:CYS144 3.8 63.4 1.0 CA A:CYS144 4.1 58.9 1.0 CA A:CYS166 4.5 56.5 1.0 N A:GLY179 4.6 63.8 1.0 CA A:CYS141 4.6 58.3 1.0 CB A:LYS143 4.7 75.7 1.0 CG2 A:VAL168 4.7 69.3 1.0 CA A:CYS177 4.7 65.2 1.0 CA A:GLY179 4.7 61.7 1.0 C A:CYS144 4.8 51.7 1.0 OG1 A:THR146 4.8 56.5 1.0 CB A:THR146 4.8 58.4 1.0 CB A:VAL168 4.8 68.8 1.0 C A:LYS143 4.9 67.1 1.0 N A:LYS145 5.0 58.7 1.0

Zinc binding site 2 out of 2 in the Human SIRT6 in Complex with Adp-Ribose and Fragment 6-O-Methylguanine


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 6-O-Methylguanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:68.5 occ:1.00 SG B:CYS144 2.2 61.8 1.0 SG B:CYS141 2.2 70.1 1.0 SG B:CYS166 2.3 60.5 1.0 SG B:CYS177 2.4 70.3 1.0 CB B:CYS166 2.9 57.5 1.0 CB B:CYS141 3.1 69.9 1.0 CB B:CYS177 3.3 75.3 1.0 CB B:CYS144 3.4 65.2 1.0 N B:CYS144 3.7 73.2 1.0 CA B:CYS144 4.1 65.7 1.0 CB B:LYS143 4.4 91.3 1.0 CA B:CYS166 4.4 58.6 1.0 N B:GLY179 4.5 76.5 1.0 CA B:CYS141 4.6 69.4 1.0 CA B:GLY179 4.7 76.9 1.0 CA B:CYS177 4.7 74.5 1.0 CG2 B:VAL168 4.8 71.7 1.0 C B:LYS143 4.8 80.2 1.0 OG1 B:THR146 4.8 66.9 1.0 C B:CYS144 4.8 65.6 1.0 CB B:THR146 4.8 64.3 1.0 CB B:VAL168 4.8 74.2 1.0 C B:CYS177 5.0 78.3 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.