Zinc in PDB 9s44: Human Histone Deacetylase SIRT2

All present enzymatic activity of Human Histone Deacetylase SIRT2:
2.3.1.286;

The structure of Human Histone Deacetylase SIRT2, PDB code: 9s44 was solved by R.Wirawan, M.Frei, A.Heider, N.Papenkordt, F.Friedrich, T.Wein, M.Jung, M.Groll, E.M.Huber, F.Bracher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.15
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.76, 73.51, 54.98, 90, 95.26, 90
R / Rfree (%)	22.8 / 27.4

The binding sites of Zinc atom in the Human Histone Deacetylase SIRT2 (pdb code 9s44). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Human Histone Deacetylase SIRT2, PDB code: 9s44:

Zinc binding site 1 out of 1 in the Human Histone Deacetylase SIRT2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Histone Deacetylase SIRT2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:37.7 occ:1.00 SG A:CYS221 2.3 41.2 1.0 SG A:CYS200 2.3 39.1 1.0 SG A:CYS195 2.3 38.4 1.0 SG A:CYS224 2.3 39.7 1.0 CB A:CYS221 3.1 43.1 1.0 CB A:CYS200 3.2 40.5 1.0 CB A:CYS195 3.2 38.5 1.0 CB A:CYS224 3.4 40.9 1.0 N A:CYS224 3.8 43.7 1.0 CA A:CYS224 4.1 42.1 1.0 CB A:HIS202 4.4 45.1 1.0 CB A:ASP223 4.5 49.7 1.0 CA A:CYS200 4.5 42.2 1.0 CA A:CYS221 4.6 45.5 1.0 CA A:CYS195 4.6 39.5 1.0 N A:HIS202 4.6 45.1 1.0 N A:ARG201 4.6 44.2 1.0 C A:CYS224 4.7 42.4 1.0 CB A:SER226 4.7 41.7 1.0 OG A:SER226 4.8 39.9 1.0 C A:ASP223 4.8 46.3 1.0 CB A:SER197 4.8 45.5 1.0 C A:CYS200 4.9 42.9 1.0 N A:GLN225 4.9 42.7 1.0 N A:SER226 5.0 44.0 1.0

R.Wirawan, M.Frei, A.Heider, N.Papenkordt, F.Friedrich, T.Wein, M.Jung, M.Groll, E.M.Huber, F.Bracher. Enhancing the Potency of Sirtuin 2 Inhibitors Through Rational Functional Group Modulations Targeting Nad+ Co-Factor Interactions To Be Published.