Chlorine in PDB 4bvb: Crystal Structure of Human SIRT3 in Complex with the Inhibitor Ex-527 and Adp-Ribose

The structure of Crystal Structure of Human SIRT3 in Complex with the Inhibitor Ex-527 and Adp-Ribose, PDB code: 4bvb was solved by M.Gertz, M.Weyand, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.61 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.500, 64.150, 67.830, 90.00, 90.00, 90.00
R / Rfree (%)	17.005 / 23.153

The structure of Crystal Structure of Human SIRT3 in Complex with the Inhibitor Ex-527 and Adp-Ribose also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human SIRT3 in Complex with the Inhibitor Ex-527 and Adp-Ribose (pdb code 4bvb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human SIRT3 in Complex with the Inhibitor Ex-527 and Adp-Ribose, PDB code: 4bvb:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human SIRT3 in Complex with the Inhibitor Ex-527 and Adp-Ribose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human SIRT3 in Complex with the Inhibitor Ex-527 and Adp-Ribose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1395 b:15.8 occ:1.00 CL A:OCZ1395 0.0 15.8 1.0 CAB A:OCZ1395 1.8 14.8 1.0 CAC A:OCZ1395 2.8 14.9 1.0 CAA A:OCZ1395 2.9 13.3 1.0 CG2 A:ILE291 3.4 17.1 0.5 CD1 A:PHE180 3.6 26.6 1.0 CD1 A:ILE291 3.8 12.2 0.5 CD1 A:PHE293 3.8 21.6 1.0 O A:VAL292 3.9 15.3 1.0 CB A:PHE180 3.9 18.3 1.0 CG A:PHE180 4.0 22.9 1.0 CAD A:OCZ1395 4.1 12.3 1.0 CAF A:OCZ1395 4.1 11.4 1.0 CE1 A:PHE293 4.1 24.9 1.0 CA A:PHE293 4.2 16.6 1.0 CE1 A:PHE294 4.3 28.5 1.0 CE1 A:PHE180 4.4 25.5 1.0 C A:VAL292 4.5 14.4 1.0 CG1 A:ILE291 4.5 13.0 0.5 CD1 A:PHE294 4.5 29.3 1.0 CA A:PHE180 4.6 15.2 1.0 CAE A:OCZ1395 4.6 11.9 1.0 CB A:ILE291 4.6 16.4 0.5 O A:PHE180 4.6 15.3 1.0 N A:PHE293 4.6 14.9 1.0 CG A:PHE293 4.6 18.3 1.0 CB A:ILE291 4.8 13.9 0.5

M.Gertz, F.Fischer, G.T.T.Nguyen, M.Lakshminarasimhan, M.Schutkowski, M.Weyand, C.Steegborn. Ex-527 Inhibits Sirtuins By Exploiting Their Unique Nad+-Dependent Deacetylation Mechanism Proc.Natl.Acad.Sci.Usa V. 110 E2772 2013.
ISSN: ISSN 0027-8424
PubMed: 23840057
DOI: 10.1073/PNAS.1303628110