Zinc in PDB 6xv1: Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801

All present enzymatic activity of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801:
2.3.1.286;

The structure of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801, PDB code: 6xv1 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)	45.59 / 1.95
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.175, 91.175, 143.584, 90.00, 90.00, 120.00
R / Rfree (%)	15 / 16.5

The structure of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801 also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Bromine	(Br)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Zinc atom in the Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801 (pdb code 6xv1). 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 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801, PDB code: 6xv1:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:43.8 occ:1.00 SG A:CYS144 2.0 50.5 1.0 SG A:CYS141 2.3 45.5 1.0 SG A:CYS166 2.4 41.1 1.0 SG A:CYS177 2.4 50.3 1.0 CB A:CYS166 3.0 41.2 1.0 CB A:CYS141 3.1 45.0 1.0 CB A:CYS144 3.2 46.6 1.0 CB A:CYS177 3.5 55.9 1.0 N A:CYS144 3.7 46.1 1.0 CA A:CYS144 4.0 45.6 1.0 N A:GLY179 4.4 54.0 1.0 CA A:GLY179 4.4 53.3 1.0 CA A:CYS166 4.5 36.2 1.0 CB A:LYS143 4.6 73.6 1.0 CA A:CYS141 4.6 43.9 1.0 C A:CYS144 4.7 41.6 1.0 C A:LYS143 4.8 54.8 1.0 CB A:VAL168 4.8 48.9 1.0 OG1 A:THR146 4.8 50.6 1.0 CG2 A:VAL168 4.8 38.1 1.0 N A:LYS145 4.9 47.8 1.0 CB A:THR146 4.9 39.3 1.0 CA A:CYS177 4.9 50.2 1.0 N A:THR146 5.0 35.4 1.0

Zinc binding site 2 out of 2 in the Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:50.4 occ:1.00 SG B:CYS144 2.1 51.5 1.0 SG B:CYS141 2.2 55.9 1.0 SG B:CYS166 2.3 47.3 1.0 SG B:CYS177 2.5 54.6 1.0 CB B:CYS166 2.8 43.9 1.0 CB B:CYS141 3.0 61.0 1.0 CB B:CYS144 3.3 59.9 1.0 CB B:CYS177 3.6 60.8 1.0 N B:CYS144 3.7 52.3 1.0 CA B:CYS144 4.0 53.4 1.0 N B:GLY179 4.2 58.4 1.0 CA B:CYS166 4.3 43.3 1.0 CA B:GLY179 4.3 57.0 1.0 CA B:CYS141 4.5 58.3 1.0 CB B:LYS143 4.5 71.1 1.0 C B:LYS143 4.8 50.8 1.0 C B:CYS144 4.8 53.5 1.0 CB B:THR146 4.9 50.7 1.0 OG1 B:THR146 4.9 54.5 1.0 CB B:VAL168 4.9 56.8 1.0 CA B:CYS177 4.9 57.1 1.0 C B:CYS141 5.0 58.8 1.0 N B:LYS145 5.0 61.3 1.0 N B:LYS143 5.0 62.8 1.0 CA B:LYS143 5.0 66.1 1.0 C B:CYS177 5.0 66.0 1.0

W.You, C.Steegborn. Crystal Structures of SIRT6 Complexes with the Allosteric Activator Mdl-801 Reveal Binding Site and Interaction Details To Be Published.