Chlorine in PDB 8owz: Crystal Structure of Human SIRT2 in Complex with A Triazole-Based Sirreal

The structure of Crystal Structure of Human SIRT2 in Complex with A Triazole-Based Sirreal, PDB code: 8owz was solved by F.Friedrich, L.Zhang, M.Schiedel, O.Einsle, M.Jung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.09 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.81, 73.463, 55.333, 90, 95.34, 90
R / Rfree (%)	16.8 / 19.8

The structure of Crystal Structure of Human SIRT2 in Complex with A Triazole-Based Sirreal also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human SIRT2 in Complex with A Triazole-Based Sirreal (pdb code 8owz). 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 SIRT2 in Complex with A Triazole-Based Sirreal, PDB code: 8owz:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human SIRT2 in Complex with A Triazole-Based Sirreal


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 SIRT2 in Complex with A Triazole-Based Sirreal within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl410 b:28.7 occ:1.00 O A:HOH658 3.2 29.1 1.0 N A:GLN265 3.2 22.5 1.0 N A:VAL266 3.3 22.6 0.5 N A:VAL266 3.3 22.6 0.5 NE2 A:GLN167 3.4 23.8 1.0 CG2 A:VAL266 3.5 26.2 0.5 N A:LEU264 3.7 22.4 1.0 CB A:VAL266 3.8 25.0 0.5 OG1 A:THR262 3.8 20.8 1.0 CB A:VAL266 4.0 24.9 0.5 CA A:GLN265 4.0 26.3 1.0 OE1 A:GLN167 4.0 23.2 1.0 CG2 A:VAL266 4.0 27.3 0.5 C A:GLN265 4.1 25.6 1.0 CD A:GLN167 4.1 21.5 1.0 C A:LEU264 4.1 26.5 1.0 CA A:LEU264 4.1 23.8 1.0 CA A:VAL266 4.1 23.1 0.5 CB A:GLN265 4.2 27.0 1.0 N A:SER263 4.2 20.4 1.0 CA A:VAL266 4.3 23.0 0.5 C A:SER263 4.3 22.1 1.0 O A:HOH610 4.3 18.1 1.0 CB A:SER263 4.5 24.9 1.0 O A:VAL266 4.5 21.8 0.5 CA A:SER263 4.6 20.3 1.0 C A:VAL266 4.9 25.4 0.5 O A:HOH609 4.9 23.1 1.0 CG A:GLN265 5.0 28.2 1.0

L.Sinatra, A.Vogelmann, F.Friedrich, M.A.Tararina, E.Neuwirt, A.Colcerasa, P.Konig, L.Toy, T.Z.Yesiloglu, S.Hilscher, L.Gaitzsch, N.Papenkordt, S.Zhai, L.Zhang, C.Romier, O.Einsle, W.Sippl, M.Schutkowski, O.Gross, G.Bendas, D.W.Christianson, F.K.Hansen, M.Jung, M.Schiedel. Development of First-in-Class Dual SIRT2/HDAC6 Inhibitors As Molecular Tools For Dual Inhibition of Tubulin Deacetylation. J.Med.Chem. 2023.
ISSN: ISSN 0022-2623
PubMed: 37902787
DOI: 10.1021/ACS.JMEDCHEM.3C01385