Zinc in PDB 4zzj: SIRT1/Activator/Substrate Complex

The structure of SIRT1/Activator/Substrate Complex, PDB code: 4zzj was solved by H.Dai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.68 / 2.74
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.510, 94.510, 356.840, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.1

The structure of SIRT1/Activator/Substrate Complex also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Zinc atom in the SIRT1/Activator/Substrate Complex (pdb code 4zzj). 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 SIRT1/Activator/Substrate Complex, PDB code: 4zzj:

Zinc binding site 1 out of 1 in the SIRT1/Activator/Substrate Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of SIRT1/Activator/Substrate Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:68.6 occ:1.00 SG A:CYS395 2.2 59.5 1.0 SG A:CYS374 2.2 58.4 1.0 SG A:CYS398 2.3 70.9 1.0 SG A:CYS371 2.4 67.8 1.0 CB A:CYS371 3.2 56.2 1.0 CB A:CYS395 3.2 63.0 1.0 CB A:CYS374 3.4 69.4 1.0 CB A:CYS398 3.4 76.8 1.0 N A:CYS374 3.8 76.9 1.0 N A:CYS398 3.9 68.6 1.0 CA A:CYS374 4.1 76.0 1.0 CA A:CYS398 4.2 70.8 1.0 CA A:CYS395 4.6 66.3 1.0 CB A:ILE373 4.6 63.3 1.0 CB A:TYR376 4.6 66.0 1.0 CA A:CYS371 4.6 62.8 1.0 CB A:ALA405 4.7 82.0 1.0 C A:CYS374 4.8 65.4 1.0 C A:ILE373 4.9 71.7 1.0 CB A:ARG397 4.9 68.4 1.0 C A:ARG397 4.9 74.0 1.0

H.Dai, A.W.Case, T.V.Riera, T.Considine, J.E.Lee, Y.Hamuro, H.Zhao, Y.Jiang, S.M.Sweitzer, B.Pietrak, B.Schwartz, C.A.Blum, J.S.Disch, R.Caldwell, B.Szczepankiewicz, C.Oalmann, P.Yee Ng, B.H.White, R.Casaubon, R.Narayan, K.Koppetsch, F.Bourbonais, B.Wu, J.Wang, D.Qian, F.Jiang, C.Mao, M.Wang, E.Hu, J.C.Wu, R.B.Perni, G.P.Vlasuk, J.L.Ellis. Crystallographic Structure of A Small Molecule SIRT1 Activator-Enzyme Complex. Nat Commun V. 6 7645 2015.
ISSN: ESSN 2041-1723
PubMed: 26134520
DOI: 10.1038/NCOMMS8645