Chlorine 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:

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

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A), PDB code: 7cl1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl403 b:152.4 occ:1.00 CL1 A:8L9403 0.0 152.4 1.0 C09 A:8L9403 1.7 166.2 1.0 C01 A:8L9403 2.7 170.7 1.0 C07 A:8L9403 2.7 175.3 1.0 C03 A:8L9403 4.0 179.8 1.0 C06 A:8L9403 4.0 189.0 1.0 C04 A:8L9403 4.5 186.1 1.0

Chlorine binding site 2 out of 2 in the Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human SIRT6 in Complex with Allosteric Activator Mdl-801 (3.2A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:180.0 occ:1.00 CL2 A:8L9403 0.0 180.0 1.0 C03 A:8L9403 1.7 179.8 1.0 C01 A:8L9403 2.7 170.7 1.0 C04 A:8L9403 2.7 186.1 1.0 N A:ALA5 3.1 134.3 1.0 C A:ALA4 3.5 141.2 1.0 O A:HOH517 3.5 96.5 1.0 O A:ASN2 3.6 161.6 1.0 CB A:ALA4 3.7 134.1 1.0 CB A:ALA5 3.7 122.4 1.0 CA A:ALA5 3.7 122.1 1.0 CA A:ALA4 4.0 138.5 1.0 C09 A:8L9403 4.0 166.2 1.0 C06 A:8L9403 4.0 189.0 1.0 O A:ALA4 4.1 145.8 1.0 N A:ALA4 4.2 146.1 1.0 C A:ASN2 4.2 169.4 1.0 CA A:ASN2 4.5 170.4 1.0 C07 A:8L9403 4.5 175.3 1.0

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