Zinc in PDB 8ccz: Crystal Structure of Human SIRT3 in Complex with An Inhibiting HIV1 Tat-37-59 Peptide

All present enzymatic activity of Crystal Structure of Human SIRT3 in Complex with An Inhibiting HIV1 Tat-37-59 Peptide:
2.3.1.286;

The structure of Crystal Structure of Human SIRT3 in Complex with An Inhibiting HIV1 Tat-37-59 Peptide, PDB code: 8ccz was solved by R.S.Adolph, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.24 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.545, 78.124, 76.575, 90, 96.09, 90
R / Rfree (%)	22.7 / 27.6

The binding sites of Zinc atom in the Crystal Structure of Human SIRT3 in Complex with An Inhibiting HIV1 Tat-37-59 Peptide (pdb code 8ccz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human SIRT3 in Complex with An Inhibiting HIV1 Tat-37-59 Peptide, PDB code: 8ccz:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Human SIRT3 in Complex with An Inhibiting HIV1 Tat-37-59 Peptide


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 An Inhibiting HIV1 Tat-37-59 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:26.2 occ:1.00 SG A:CYS259 2.3 29.6 1.0 SG A:CYS283 2.3 23.4 1.0 SG A:CYS256 2.4 22.7 1.0 SG A:CYS280 2.4 24.8 1.0 CB A:CYS280 3.1 21.6 1.0 CB A:CYS256 3.3 23.4 1.0 CB A:CYS259 3.4 27.2 1.0 CB A:CYS283 3.6 23.9 1.0 N A:CYS259 3.8 24.7 1.0 N A:CYS283 3.9 28.6 1.0 CA A:CYS259 4.2 22.2 1.0 CA A:CYS283 4.3 27.0 1.0 N A:GLY285 4.5 25.7 1.0 CA A:CYS280 4.6 22.2 1.0 CB A:VAL258 4.6 23.3 1.0 CA A:CYS256 4.7 23.1 1.0 C A:CYS283 4.7 24.0 1.0 CB A:VAL282 4.7 40.0 1.0 CB A:ARG261 4.8 26.3 1.0 C A:CYS259 4.8 30.5 1.0 O A:HOH530 4.9 37.8 1.0 N A:THR284 4.9 23.8 1.0 CA A:GLY285 4.9 26.2 1.0 C A:VAL258 4.9 26.6 1.0 C A:VAL282 5.0 36.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Human SIRT3 in Complex with An Inhibiting HIV1 Tat-37-59 Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human SIRT3 in Complex with An Inhibiting HIV1 Tat-37-59 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:25.6 occ:1.00 SG B:CYS259 2.3 26.1 1.0 SG B:CYS256 2.3 24.5 1.0 SG B:CYS283 2.4 24.1 1.0 SG B:CYS280 2.4 25.7 1.0 CB B:CYS280 3.0 29.3 1.0 CB B:CYS256 3.2 23.2 1.0 CB B:CYS259 3.3 28.7 1.0 CB B:CYS283 3.5 23.4 1.0 N B:CYS259 3.7 26.2 1.0 N B:CYS283 4.0 29.1 1.0 CA B:CYS259 4.1 25.9 1.0 CA B:CYS283 4.3 24.9 1.0 CA B:CYS280 4.5 23.0 1.0 N B:GLY285 4.5 27.3 1.0 CB B:VAL258 4.7 24.0 1.0 CA B:CYS256 4.7 21.4 1.0 C B:CYS283 4.7 26.5 1.0 C B:CYS259 4.7 27.7 1.0 CB B:VAL282 4.8 30.3 1.0 C B:VAL258 4.9 26.9 1.0 N B:THR284 4.9 25.1 1.0 CB B:ARG261 4.9 31.2 1.0 CA B:GLY285 4.9 28.2 1.0 C B:VAL282 4.9 28.5 1.0 N B:GLN260 5.0 26.0 1.0

R.S.Adolph, E.Beck, K.Schweimer, A.Di Fonzo, M.Weyand, P.Rosch, B.M.Wohrl, C.Steegborn. Molecular Mechanism of Sirtuin 1 Inhibition By Human Immunodeficiency Virus 1 Tat Protein. Life V. 13 2023.
ISSN: ESSN 2075-1729
PubMed: 37109478
DOI: 10.3390/LIFE13040949