Zinc in PDB 4o8z: Crystal Structure of Human SIRT3 in Complex with Compound (2- Butylbenzofuran-3-Yl)(4-(2-(Diethylamino)Ethoxy)-3,5-Diiodophenyl) Methanone

The structure of Crystal Structure of Human SIRT3 in Complex with Compound (2- Butylbenzofuran-3-Yl)(4-(2-(Diethylamino)Ethoxy)-3,5-Diiodophenyl) Methanone, PDB code: 4o8z was solved by B.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.73 / 2.00
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	116.317, 116.317, 45.655, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 20.4

The structure of Crystal Structure of Human SIRT3 in Complex with Compound (2- Butylbenzofuran-3-Yl)(4-(2-(Diethylamino)Ethoxy)-3,5-Diiodophenyl) Methanone also contains other interesting chemical elements:

Iodine

(I)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Human SIRT3 in Complex with Compound (2- Butylbenzofuran-3-Yl)(4-(2-(Diethylamino)Ethoxy)-3,5-Diiodophenyl) Methanone (pdb code 4o8z). 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 SIRT3 in Complex with Compound (2- Butylbenzofuran-3-Yl)(4-(2-(Diethylamino)Ethoxy)-3,5-Diiodophenyl) Methanone, PDB code: 4o8z:

Zinc binding site 1 out of 1 in the Crystal Structure of Human SIRT3 in Complex with Compound (2- Butylbenzofuran-3-Yl)(4-(2-(Diethylamino)Ethoxy)-3,5-Diiodophenyl) Methanone


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 SIRT3 in Complex with Compound (2- Butylbenzofuran-3-Yl)(4-(2-(Diethylamino)Ethoxy)-3,5-Diiodophenyl) Methanone within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:22.1 occ:1.00 SG A:CYS280 2.3 22.1 1.0 SG A:CYS283 2.3 24.6 1.0 SG A:CYS259 2.4 24.0 1.0 SG A:CYS256 2.4 19.4 1.0 CB A:CYS280 3.0 20.3 1.0 CB A:CYS256 3.2 19.2 1.0 CB A:CYS259 3.2 21.2 1.0 CB A:CYS283 3.3 27.9 1.0 N A:CYS259 3.7 20.3 1.0 N A:CYS283 3.9 30.1 1.0 CA A:CYS259 4.0 23.2 1.0 CA A:CYS283 4.1 28.2 1.0 CA A:CYS280 4.5 19.9 1.0 N A:GLY285 4.5 21.8 1.0 CA A:CYS256 4.6 17.8 1.0 C A:CYS283 4.7 27.6 1.0 CB A:ARG261 4.7 21.7 1.0 C A:CYS259 4.7 23.7 1.0 N A:THR284 4.8 24.6 1.0 CB A:VAL282 4.9 32.0 1.0 N A:GLN260 4.9 23.1 1.0 C A:VAL258 4.9 22.7 1.0 CB A:VAL258 4.9 22.7 1.0 CA A:GLY285 4.9 20.4 1.0 C A:VAL282 4.9 36.7 1.0

B.Liu, B.Liu. N/A N/A.