Zinc in PDB 8akd: Human SIRT6 in Complex with Adp-Ribose and Fragment 1-Methyl-L- Histidine

All present enzymatic activity of Human SIRT6 in Complex with Adp-Ribose and Fragment 1-Methyl-L- Histidine:
2.3.1.286;

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment 1-Methyl-L- Histidine, PDB code: 8akd 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)	45.53 / 1.76
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.057, 91.057, 143.302, 90, 90, 120
R / Rfree (%)	17.6 / 20.2

The binding sites of Zinc atom in the Human SIRT6 in Complex with Adp-Ribose and Fragment 1-Methyl-L- Histidine (pdb code 8akd). 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 1-Methyl-L- Histidine, PDB code: 8akd:
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 1-Methyl-L- Histidine


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 1-Methyl-L- Histidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:56.1 occ:1.00 SG A:CYS144 2.2 59.4 1.0 SG A:CYS141 2.3 52.0 1.0 SG A:CYS166 2.3 52.9 1.0 SG A:CYS177 2.4 65.8 1.0 CB A:CYS166 3.0 53.7 1.0 CB A:CYS141 3.1 53.4 1.0 CB A:CYS177 3.2 63.9 1.0 CB A:CYS144 3.3 57.7 1.0 N A:CYS144 3.8 59.4 1.0 CA A:CYS144 4.1 57.3 1.0 CA A:CYS166 4.4 52.8 1.0 N A:GLY179 4.5 55.0 1.0 CB A:LYS143 4.5 69.5 1.0 CA A:GLY179 4.6 53.4 1.0 CA A:CYS141 4.6 52.0 1.0 CA A:CYS177 4.6 61.4 1.0 C A:CYS144 4.8 52.6 1.0 C A:LYS143 4.8 63.3 1.0 CB A:VAL168 4.9 57.5 1.0 CG2 A:VAL168 4.9 56.0 1.0 CB A:THR146 4.9 48.0 1.0 C A:CYS177 4.9 63.2 1.0

Zinc binding site 2 out of 2 in the Human SIRT6 in Complex with Adp-Ribose and Fragment 1-Methyl-L- Histidine


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 1-Methyl-L- Histidine within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:61.5 occ:1.00 SG B:CYS144 2.2 59.4 1.0 SG B:CYS141 2.3 75.1 1.0 SG B:CYS166 2.3 63.7 1.0 SG B:CYS177 2.4 64.1 1.0 CB B:CYS166 3.0 60.0 1.0 CB B:CYS141 3.2 68.5 1.0 CB B:CYS177 3.2 66.7 1.0 CB B:CYS144 3.4 68.0 1.0 N B:CYS144 3.8 69.1 1.0 CA B:CYS144 4.1 68.7 1.0 CB B:LYS143 4.4 80.8 1.0 N B:GLY179 4.4 68.5 1.0 CA B:CYS166 4.5 58.9 1.0 CA B:GLY179 4.6 69.9 1.0 CA B:CYS177 4.6 65.4 1.0 CA B:CYS141 4.6 65.3 1.0 C B:LYS143 4.8 73.6 1.0 CB B:VAL168 4.9 69.7 1.0 C B:CYS144 4.9 68.9 1.0 C B:CYS177 4.9 70.0 1.0 CG2 B:VAL168 4.9 68.1 1.0 CB B:THR146 4.9 58.3 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.