Chlorine in PDB 6xv1: Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801

All present enzymatic activity of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801:
2.3.1.286;

The structure of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801, PDB code: 6xv1 was solved by W.You, C.Steegborn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.59 / 1.95
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.175, 91.175, 143.584, 90.00, 90.00, 120.00
R / Rfree (%)	15 / 16.5

The structure of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801 also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Zinc	(Zn)	2 atoms
Bromine	(Br)	1 atom

The binding sites of Chlorine atom in the Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801 (pdb code 6xv1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801, PDB code: 6xv1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:1.0 occ:1.00 CL1 A:8L9403 0.0 1.0 1.0 C09 A:8L9403 1.8 0.1 1.0 C01 A:8L9403 2.7 0.4 1.0 C07 A:8L9403 2.8 0.3 1.0 OD1 A:ASP187 3.8 70.3 1.0 CB A:PRO10 4.0 79.2 1.0 C03 A:8L9403 4.1 0.6 1.0 OD2 A:ASP187 4.1 56.2 1.0 C06 A:8L9403 4.1 0.1 1.0 CG A:ASP187 4.2 57.2 1.0 CG A:PRO10 4.5 87.2 1.0 C04 A:8L9403 4.6 0.7 1.0

Chlorine binding site 2 out of 2 in the Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Mdl- 801 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:0.2 occ:1.00 CL2 A:8L9403 0.0 0.2 1.0 C03 A:8L9403 1.8 0.6 1.0 C01 A:8L9403 2.7 0.4 1.0 C04 A:8L9403 2.8 0.7 1.0 C09 A:8L9403 4.1 0.1 1.0 C06 A:8L9403 4.1 0.1 1.0 C07 A:8L9403 4.6 0.3 1.0

W.You, C.Steegborn. Crystal Structures of SIRT6 Complexes with the Allosteric Activator Mdl-801 Reveal Binding Site and Interaction Details To Be Published.