Zinc in PDB 8qoo: Crystal Structure of Human SIRT2 in Complex with the Peptide-Based Pseudo-Inhibitor Tnfn-4.1

The structure of Crystal Structure of Human SIRT2 in Complex with the Peptide-Based Pseudo-Inhibitor Tnfn-4.1, PDB code: 8qoo was solved by F.Friedrich, D.Kalbas, M.Meleshin, O.Einsle, M.Schutkowski, M.Jung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.13 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.069, 73.637, 55.378, 90, 95.38, 90
R / Rfree (%)	16.4 / 19

The binding sites of Zinc atom in the Crystal Structure of Human SIRT2 in Complex with the Peptide-Based Pseudo-Inhibitor Tnfn-4.1 (pdb code 8qoo). 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 Crystal Structure of Human SIRT2 in Complex with the Peptide-Based Pseudo-Inhibitor Tnfn-4.1, PDB code: 8qoo:

Zinc binding site 1 out of 1 in the Crystal Structure of Human SIRT2 in Complex with the Peptide-Based Pseudo-Inhibitor Tnfn-4.1


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human SIRT2 in Complex with the Peptide-Based Pseudo-Inhibitor Tnfn-4.1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:13.6 occ:1.00 SG A:CYS224 2.3 12.5 1.0 SG A:CYS200 2.3 15.1 1.0 SG A:CYS195 2.3 12.6 1.0 SG A:CYS221 2.3 14.2 1.0 CB A:CYS221 3.1 13.5 1.0 CB A:CYS200 3.1 13.9 1.0 CB A:CYS195 3.2 11.5 1.0 CB A:CYS224 3.5 13.0 1.0 N A:CYS224 3.9 16.4 1.0 CA A:CYS224 4.2 13.9 1.0 CB A:ASP223 4.4 19.4 1.0 O A:HOH764 4.4 25.5 1.0 CA A:CYS200 4.4 14.4 1.0 CB A:HIS202 4.5 16.1 1.0 N A:ARG201 4.5 12.3 1.0 CA A:CYS221 4.5 12.9 1.0 N A:HIS202 4.6 14.3 1.0 CA A:CYS195 4.6 12.3 1.0 CB A:SER226 4.7 12.6 1.0 C A:CYS200 4.7 16.1 1.0 C A:ASP223 4.8 18.2 1.0 CB A:SER197 4.8 14.8 1.0 C A:CYS224 4.8 13.7 1.0 N A:GLN225 4.9 14.1 1.0 N A:ASP223 4.9 19.1 1.0 N A:SER226 4.9 13.3 1.0 CA A:ASP223 4.9 16.1 1.0 OG A:SER226 5.0 14.5 1.0

F.Friedrich, D.Kalbas, O.Einsle, M.Jung, M.Schutkowski. Development of Potent Tnfa-Myr-Based Pseudo-Inhibitors For Sirtuin 2 To Be Published.