Zinc in PDB 4rmi: Human SIRT2 in Complex with SIRREAL1 and Ac-Lys-Otc Peptide

The structure of Human SIRT2 in Complex with SIRREAL1 and Ac-Lys-Otc Peptide, PDB code: 4rmi was solved by T.Rumpf, M.Schiedel, B.Karaman, C.Roessler, B.J.North, A.Lehotzky, J.Olah, K.I.Ladwein, K.Schmidtkunz, M.Gajer, M.Pannek, C.Steegborn, D.A.Sinclair, S.Gerhardt, J.Ovadi, M.Schutkowski, W.Sippl, O.Einsle, M.Jung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.43 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	36.212, 73.745, 55.858, 90.00, 94.71, 90.00
R / Rfree (%)	26 / 28.2

The binding sites of Zinc atom in the Human SIRT2 in Complex with SIRREAL1 and Ac-Lys-Otc Peptide (pdb code 4rmi). 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 Human SIRT2 in Complex with SIRREAL1 and Ac-Lys-Otc Peptide, PDB code: 4rmi:

Zinc binding site 1 out of 1 in the Human SIRT2 in Complex with SIRREAL1 and Ac-Lys-Otc Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human SIRT2 in Complex with SIRREAL1 and Ac-Lys-Otc Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:11.7 occ:1.00 SG A:CYS224 2.3 13.0 1.0 SG A:CYS200 2.3 14.5 1.0 SG A:CYS221 2.3 13.4 1.0 SG A:CYS195 2.4 10.3 1.0 CB A:CYS221 3.1 14.0 1.0 CB A:CYS200 3.2 13.8 1.0 CB A:CYS195 3.3 10.2 1.0 CB A:CYS224 3.5 13.0 1.0 N A:CYS224 3.9 14.7 1.0 CA A:CYS224 4.2 14.3 1.0 CB A:ASP223 4.4 20.4 1.0 CB A:HIS202 4.5 17.9 1.0 CA A:CYS200 4.6 14.2 1.0 CA A:CYS221 4.6 15.0 1.0 N A:ARG201 4.6 15.9 1.0 N A:HIS202 4.6 15.6 1.0 CB A:SER226 4.7 14.7 1.0 CA A:CYS195 4.7 10.4 1.0 C A:ASP223 4.8 17.5 1.0 O A:HOH650 4.8 28.5 1.0 CB A:SER197 4.8 13.7 0.5 CB A:SER197 4.8 12.6 0.5 C A:CYS224 4.8 14.6 1.0 C A:CYS200 4.8 14.3 1.0 OG A:SER226 4.9 15.4 1.0 N A:ASP223 4.9 19.6 1.0 N A:SER226 4.9 14.6 1.0 CA A:ASP223 4.9 18.9 1.0 N A:GLN225 4.9 15.6 1.0

T.Rumpf, M.Schiedel, B.Karaman, C.Roessler, B.J.North, A.Lehotzky, J.Olah, K.I.Ladwein, K.Schmidtkunz, M.Gajer, M.Pannek, C.Steegborn, D.A.Sinclair, S.Gerhardt, J.Ovadi, M.Schutkowski, W.Sippl, O.Einsle, M.Jung. Selective SIRT2 Inhibition By Ligand-Induced Rearrangement of the Active Site. Nat Commun V. 6 6263 2015.
ISSN: ESSN 2041-1723
PubMed: 25672491
DOI: 10.1038/NCOMMS7263