Zinc in PDB 3d81: SIR2-S-Alkylamidate Complex Crystal Structure

The structure of SIR2-S-Alkylamidate Complex Crystal Structure, PDB code: 3d81 was solved by W.F.Hawse, K.G.Hoff, D.Fatkins, A.Daines, O.V.Zubkova, V.L.Schramm, W.Zheng, C.Wolberger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.89 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.500, 60.420, 106.820, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 24.6

The binding sites of Zinc atom in the SIR2-S-Alkylamidate Complex Crystal Structure (pdb code 3d81). 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 SIR2-S-Alkylamidate Complex Crystal Structure, PDB code: 3d81:

Zinc binding site 1 out of 1 in the SIR2-S-Alkylamidate Complex Crystal Structure


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of SIR2-S-Alkylamidate Complex Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:47.4 occ:1.00 SG A:CYS148 2.3 44.5 1.0 SG A:CYS127 2.5 43.7 1.0 SG A:CYS124 2.6 41.9 1.0 SG A:CYS151 2.6 52.5 1.0 CB A:CYS148 3.1 42.7 1.0 CB A:CYS124 3.2 36.8 1.0 CB A:CYS127 3.6 43.2 1.0 N A:CYS151 3.7 47.9 1.0 N A:CYS127 3.8 43.6 1.0 CB A:CYS151 3.8 48.1 1.0 CA A:CYS127 4.2 43.6 1.0 CB A:ASP150 4.2 48.8 1.0 CA A:CYS151 4.3 47.2 1.0 CB A:LYS129 4.4 40.9 1.0 CA A:CYS148 4.6 42.9 1.0 N A:ASP150 4.6 48.3 1.0 CB A:ARG126 4.6 43.7 1.0 CA A:CYS124 4.6 35.3 1.0 C A:ASP150 4.7 49.0 1.0 CB A:SER153 4.7 42.6 1.0 CA A:ASP150 4.7 48.7 1.0 C A:CYS127 4.8 43.9 1.0 N A:SER153 4.9 43.3 1.0 N A:LYS129 4.9 41.6 1.0 C A:CYS151 4.9 45.8 1.0 O A:HOH1021 4.9 69.4 1.0 C A:ARG126 4.9 43.0 1.0 N A:ASN152 4.9 45.4 1.0 N A:GLU128 4.9 44.5 1.0 OG A:SER153 4.9 45.7 1.0

W.F.Hawse, K.G.Hoff, D.G.Fatkins, A.Daines, O.V.Zubkova, V.L.Schramm, W.Zheng, C.Wolberger. Structural Insights Into Intermediate Steps in the SIR2 Deacetylation Reaction. Structure V. 16 1368 2008.
ISSN: ISSN 0969-2126
PubMed: 18786399
DOI: 10.1016/J.STR.2008.05.015