Zinc in PDB 4bv3: Crystal Structure of SIRT3 in Complex with the Inhibitor Ex-527 and Nad

The structure of Crystal Structure of SIRT3 in Complex with the Inhibitor Ex-527 and Nad, PDB code: 4bv3 was solved by M.Gertz, N.T.T.Nguyen, M.Weyand, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.83 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.940, 63.380, 66.350, 90.00, 90.00, 90.00
R / Rfree (%)	16.308 / 20.942

The structure of Crystal Structure of SIRT3 in Complex with the Inhibitor Ex-527 and Nad also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Zinc atom in the Crystal Structure of SIRT3 in Complex with the Inhibitor Ex-527 and Nad (pdb code 4bv3). 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 SIRT3 in Complex with the Inhibitor Ex-527 and Nad, PDB code: 4bv3:

Zinc binding site 1 out of 1 in the Crystal Structure of SIRT3 in Complex with the Inhibitor Ex-527 and Nad


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 SIRT3 in Complex with the Inhibitor Ex-527 and Nad within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1395 b:26.6 occ:1.00 SG A:CYS283 2.3 29.6 1.0 SG A:CYS280 2.3 24.4 1.0 SG A:CYS259 2.3 29.6 1.0 SG A:CYS256 2.4 23.8 1.0 CB A:CYS280 3.0 23.2 1.0 CB A:CYS256 3.1 21.0 1.0 CB A:CYS283 3.2 31.4 1.0 CB A:CYS259 3.3 28.8 1.0 N A:CYS259 3.8 29.8 1.0 N A:CYS283 3.9 36.7 1.0 CA A:CYS283 4.0 31.0 1.0 CA A:CYS259 4.2 28.9 1.0 CA A:CYS280 4.5 24.6 1.0 C A:CYS283 4.5 31.6 1.0 N A:GLY285 4.6 23.9 1.0 CA A:CYS256 4.6 18.7 1.0 CB A:VAL282 4.6 38.3 1.0 N A:THR284 4.7 27.4 1.0 CB A:VAL258 4.7 35.9 1.0 C A:CYS259 4.8 28.0 1.0 C A:VAL282 4.9 39.7 1.0 CA A:GLY285 5.0 23.8 1.0 CB A:ARG261 5.0 25.1 1.0 C A:VAL258 5.0 34.2 1.0

M.Gertz, F.Fischer, G.T.T.Nguyen, M.Lakshminarasimhan, M.Schutkowski, M.Weyand, C.Steegborn. Ex-527 Inhibits Sirtuins By Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.Usa V. 110 E2772 2013.
ISSN: ISSN 0027-8424
PubMed: 23840057
DOI: 10.1073/PNAS.1303628110