Zinc in PDB 2h59: SIR2 H116A-Deacetylated P53 Peptide-3'-O-Acetyl Adp Ribose

The structure of SIR2 H116A-Deacetylated P53 Peptide-3'-O-Acetyl Adp Ribose, PDB code: 2h59 was solved by K.G.Hoff, J.L.Avalos, K.Sens, C.Wolberger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.90
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	46.996, 46.996, 257.081, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.7

The binding sites of Zinc atom in the SIR2 H116A-Deacetylated P53 Peptide-3'-O-Acetyl Adp Ribose (pdb code 2h59). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the SIR2 H116A-Deacetylated P53 Peptide-3'-O-Acetyl Adp Ribose, PDB code: 2h59:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the SIR2 H116A-Deacetylated P53 Peptide-3'-O-Acetyl Adp Ribose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of SIR2 H116A-Deacetylated P53 Peptide-3'-O-Acetyl Adp Ribose within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:75.7 occ:1.00 SG A:CYS151 1.5 63.2 1.0 SG A:CYS127 2.3 58.3 1.0 SG A:CYS148 2.8 65.4 1.0 CB A:CYS148 3.0 63.8 1.0 CB A:CYS151 3.1 62.7 1.0 CB A:CYS124 3.2 54.4 1.0 N A:CYS151 3.4 63.5 1.0 CB A:CYS127 3.6 58.8 1.0 SG A:CYS124 3.6 57.4 1.0 CB A:LYS129 3.8 53.8 1.0 CA A:CYS151 3.8 62.6 1.0 N A:CYS127 4.1 58.8 1.0 CA A:CYS127 4.3 58.8 1.0 CB A:ASP150 4.4 64.4 1.0 N A:LYS129 4.4 55.2 1.0 C A:ASP150 4.6 64.0 1.0 CA A:CYS148 4.6 64.5 1.0 CD A:LYS129 4.6 56.9 1.0 C A:CYS127 4.6 58.8 1.0 CA A:LYS129 4.7 53.5 1.0 N A:ASP150 4.7 65.0 1.0 CA A:CYS124 4.7 53.4 1.0 CA A:ASP150 4.8 64.3 1.0 C A:CYS151 4.8 61.9 1.0 CG A:LYS129 4.8 54.0 1.0 N A:GLU128 4.8 58.3 1.0 N A:ASN152 4.9 61.0 1.0

Zinc binding site 2 out of 2 in the SIR2 H116A-Deacetylated P53 Peptide-3'-O-Acetyl Adp Ribose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of SIR2 H116A-Deacetylated P53 Peptide-3'-O-Acetyl Adp Ribose within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1001 b:65.6 occ:1.00 SG B:CYS127 2.3 58.3 1.0 SG B:CYS148 2.6 63.5 1.0 SG B:CYS151 2.7 65.3 1.0 SG B:CYS124 2.7 52.0 1.0 CB B:CYS127 3.1 57.0 1.0 CB B:CYS148 3.2 64.0 1.0 CB B:CYS124 3.2 49.2 1.0 CB B:CYS151 3.4 63.3 1.0 N B:CYS127 3.7 56.7 1.0 CA B:CYS127 3.9 56.7 1.0 N B:CYS151 4.0 63.7 1.0 CA B:CYS151 4.2 63.0 1.0 CB B:LYS129 4.4 51.2 1.0 C B:CYS127 4.5 56.6 1.0 CA B:CYS148 4.7 64.4 1.0 CA B:CYS124 4.7 48.9 1.0 N B:LYS129 4.7 52.9 1.0 C B:ASP150 4.8 64.3 1.0 N B:GLU128 4.8 56.0 1.0 CB B:ASP150 4.8 64.5 1.0 C B:CYS151 4.8 62.0 1.0 CB B:ARG126 4.8 56.6 1.0 C B:ARG126 4.9 56.3 1.0 OG B:SER153 4.9 58.9 1.0 N B:ASN152 4.9 60.8 1.0 N B:ASP150 5.0 65.2 1.0

K.G.Hoff, J.L.Avalos, K.Sens, C.Wolberger. Insights Into the Sirtuin Mechanism From Ternary Complexes Containing Nad(+) and Acetylated Peptide. Structure V. 14 1231 2006.
ISSN: ISSN 0969-2126
PubMed: 16905097
DOI: 10.1016/J.STR.2006.06.006