Bromine in PDB 7cl1: Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A)

All present enzymatic activity of Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A):
2.3.1.286;

The structure of Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A), PDB code: 7cl1 was solved by K.Song, J.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	115.12 / 3.20
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	162.807, 162.807, 162.807, 90, 90, 90
R / Rfree (%)	17.2 / 22

The structure of Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A) also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Zinc	(Zn)	1 atom
Fluorine	(F)	1 atom

The binding sites of Bromine atom in the Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A) (pdb code 7cl1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A), PDB code: 7cl1:

Bromine binding site 1 out of 1 in the Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br403 b:252.4 occ:1.00 BR1 A:8L9403 0.0 252.4 1.0 C38 A:8L9403 1.9 213.3 1.0 C36 A:8L9403 2.8 203.2 1.0 C39 A:8L9403 2.9 203.6 1.0 F1 A:8L9403 3.2 186.1 1.0 O3 A:GOL407 3.5 126.3 1.0 C3 A:GOL407 3.8 130.1 1.0 C35 A:8L9403 4.1 191.1 1.0 C40 A:8L9403 4.2 189.6 1.0 C2 A:GOL407 4.4 133.3 1.0 C42 A:8L9403 4.7 184.1 1.0 CA A:GLY153 4.7 73.9 1.0 CG2 A:VAL151 4.8 77.1 1.0

K.Song, J.Zhang. Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A) To Be Published.