Zinc in PDB 4rmg: Human SIRT2 in Complex with SIRREAL2 and Nad+

The structure of Human SIRT2 in Complex with SIRREAL2 and Nad+, PDB code: 4rmg 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)	48.28 / 1.88
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.701, 54.514, 96.693, 90.00, 114.82, 90.00
R / Rfree (%)	20.2 / 24.7

The binding sites of Zinc atom in the Human SIRT2 in Complex with SIRREAL2 and Nad+ (pdb code 4rmg). 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 SIRREAL2 and Nad+, PDB code: 4rmg:

Zinc binding site 1 out of 1 in the Human SIRT2 in Complex with SIRREAL2 and Nad+


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 SIRREAL2 and Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:30.7 occ:1.00 SG A:CYS200 2.2 32.1 1.0 SG A:CYS221 2.3 31.2 1.0 SG A:CYS224 2.3 32.7 1.0 SG A:CYS195 2.3 32.1 1.0 CB A:CYS200 3.1 33.9 1.0 CB A:CYS195 3.2 29.8 1.0 CB A:CYS221 3.2 29.7 1.0 CB A:CYS224 3.5 33.2 1.0 N A:CYS224 3.8 33.0 1.0 CA A:CYS224 4.2 32.0 1.0 CB A:ASP223 4.3 36.5 1.0 CA A:CYS200 4.5 35.0 1.0 CB A:HIS202 4.5 37.3 1.0 N A:ARG201 4.6 34.6 1.0 CA A:CYS195 4.6 29.2 1.0 N A:HIS202 4.7 35.2 1.0 CA A:CYS221 4.7 29.8 1.0 C A:ASP223 4.7 35.1 1.0 C A:CYS200 4.8 35.7 1.0 CB A:SER197 4.8 36.1 1.0 CB A:SER226 4.9 33.4 1.0 C A:CYS224 4.9 31.1 1.0 CA A:ASP223 4.9 34.9 1.0 N A:ASP223 4.9 32.7 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