Zinc in PDB 7t1d: Human SIRT2 in Complex with Small Molecule 359

All present enzymatic activity of Human SIRT2 in Complex with Small Molecule 359:
2.3.1.286;

The structure of Human SIRT2 in Complex with Small Molecule 359, PDB code: 7t1d was solved by J.L.Kulp, S.Remiszewski, M.Todd, L.W.Chiang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.775, 55.98, 139.576, 90, 94.46, 90
R / Rfree (%)	16.3 / 21.3

The binding sites of Zinc atom in the Human SIRT2 in Complex with Small Molecule 359 (pdb code 7t1d). 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 SIRT2 in Complex with Small Molecule 359, PDB code: 7t1d:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human SIRT2 in Complex with Small Molecule 359


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human SIRT2 in Complex with Small Molecule 359 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:29.4 occ:1.00 SG A:CYS195 2.3 29.3 1.0 SG A:CYS224 2.3 30.9 1.0 SG A:CYS221 2.3 30.2 1.0 SG A:CYS200 2.3 28.8 1.0 CB A:CYS195 3.0 26.9 1.0 CB A:CYS221 3.1 29.4 1.0 CB A:CYS200 3.1 32.7 1.0 CB A:CYS224 3.4 34.8 1.0 N A:CYS224 4.1 35.6 1.0 CA A:CYS224 4.3 34.2 1.0 CB A:ASP223 4.4 39.2 1.0 CA A:CYS195 4.4 25.0 1.0 CA A:CYS200 4.5 31.1 1.0 CB A:HIS202 4.5 26.9 1.0 N A:ARG201 4.6 31.1 1.0 CA A:CYS221 4.6 26.5 1.0 O A:HOH1112 4.7 30.4 1.0 N A:HIS202 4.7 25.5 1.0 CB A:SER226 4.7 26.6 1.0 C A:CYS200 4.8 30.2 1.0 CB A:SER197 4.8 32.5 1.0 C A:CYS224 4.9 33.3 1.0 OG A:SER226 4.9 31.2 1.0 N A:SER226 4.9 29.1 1.0

Zinc binding site 2 out of 2 in the Human SIRT2 in Complex with Small Molecule 359


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human SIRT2 in Complex with Small Molecule 359 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:14.7 occ:1.00 SG B:CYS200 2.3 16.6 1.0 SG B:CYS224 2.3 14.9 1.0 SG B:CYS195 2.3 14.9 1.0 SG B:CYS221 2.3 14.1 1.0 CB B:CYS221 3.1 14.4 1.0 CB B:CYS200 3.1 16.6 1.0 CB B:CYS195 3.1 13.9 1.0 CB B:CYS224 3.5 17.1 1.0 N B:CYS224 3.9 17.9 1.0 CA B:CYS224 4.2 16.2 1.0 CA B:CYS200 4.5 16.9 1.0 CB B:HIS202 4.5 16.3 1.0 CB B:ASP223 4.5 20.4 1.0 CA B:CYS195 4.5 13.5 1.0 CA B:CYS221 4.6 14.2 1.0 N B:ARG201 4.6 16.5 1.0 N B:HIS202 4.6 16.9 1.0 CB B:SER226 4.7 14.2 1.0 CB B:SER197 4.8 16.8 0.5 C B:CYS200 4.8 16.7 1.0 C B:CYS224 4.8 15.3 1.0 OG B:SER226 4.9 15.0 1.0 C B:ASP223 4.9 17.6 1.0 CB B:SER197 4.9 19.8 0.5 N B:SER226 4.9 13.6 1.0 N B:GLN225 5.0 14.2 1.0

K.L.Roche, S.Remiszewski, M.Todd, J.L.Kulp, L.Tang, W.Reiley, C.De, A.Wahl, J.V.Garcia, T.Shenk, E.A.Murphy, L.W.Chiang. Fls-359 Is An Allosteric Inhibitor of SIRT2 De-Acetylase Activity That Exhibits Broad-Spectrum Antiviral Activity Against Dna and Rna Viruses To Be Published.