Zinc in PDB 8i2b: Human SIRT6 in Complex with Inhibitor 7702

All present enzymatic activity of Human SIRT6 in Complex with Inhibitor 7702:
2.3.1.286;

The structure of Human SIRT6 in Complex with Inhibitor 7702, PDB code: 8i2b was solved by Y.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.97 / 2.20
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.318, 91.318, 143.674, 90, 90, 120
R / Rfree (%)	19.2 / 23.8

The structure of Human SIRT6 in Complex with Inhibitor 7702 also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Zinc atom in the Human SIRT6 in Complex with Inhibitor 7702 (pdb code 8i2b). 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 Inhibitor 7702, PDB code: 8i2b:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human SIRT6 in Complex with Inhibitor 7702


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 Inhibitor 7702 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:60.2 occ:1.00 SG A:CYS144 2.2 64.5 1.0 SG A:CYS141 2.2 54.9 1.0 SG A:CYS166 2.4 53.0 1.0 SG A:CYS177 2.5 81.1 1.0 CB A:CYS166 3.0 54.6 1.0 CB A:CYS141 3.0 61.6 1.0 CB A:CYS144 3.3 64.8 1.0 CB A:CYS177 3.6 76.4 1.0 N A:CYS144 3.8 73.4 1.0 CA A:CYS144 4.1 64.2 1.0 N A:GLY179 4.5 67.7 1.0 CA A:CYS166 4.5 49.0 1.0 CA A:CYS141 4.5 56.9 1.0 CA A:GLY179 4.5 65.8 1.0 CB A:LYS143 4.6 84.3 1.0 CG2 A:VAL168 4.7 57.6 1.0 C A:CYS144 4.8 61.5 1.0 OG1 A:THR146 4.8 61.1 1.0 CB A:THR146 4.8 57.6 1.0 CB A:VAL168 4.8 64.0 1.0 C A:LYS143 4.8 78.8 1.0 CA A:CYS177 4.9 71.6 1.0 N A:LYS145 4.9 65.2 1.0

Zinc binding site 2 out of 2 in the Human SIRT6 in Complex with Inhibitor 7702


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 Inhibitor 7702 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn605 b:70.8 occ:1.00 SG B:CYS141 2.1 79.8 1.0 SG B:CYS144 2.2 68.8 1.0 SG B:CYS166 2.4 66.8 1.0 CB B:CYS141 2.8 78.9 1.0 SG B:CYS177 2.9 75.5 1.0 CB B:CYS166 3.0 65.4 1.0 CB B:CYS144 3.3 77.0 1.0 N B:CYS144 3.7 74.8 1.0 CG B:LYS143 3.9 97.8 1.0 CA B:CYS144 4.0 74.9 1.0 CB B:CYS177 4.2 80.4 1.0 CA B:CYS141 4.3 79.2 1.0 CA B:CYS166 4.5 62.4 1.0 CA B:GLY179 4.5 76.0 1.0 N B:GLY179 4.6 74.8 1.0 CD B:LYS143 4.6 109.1 1.0 C B:CYS144 4.7 68.7 1.0 OG1 B:THR146 4.8 59.5 1.0 CB B:THR146 4.8 64.7 1.0 N B:LYS145 4.8 75.8 1.0 C B:LYS143 4.9 85.6 1.0 C B:CYS141 4.9 74.5 1.0 N B:THR146 4.9 62.0 1.0 CG2 B:VAL168 5.0 76.9 1.0

Y.Wang, Y.Wang. N/A N/A.