Chlorine in PDB 8akf: Human SIRT6 in Complex with Adp-Ribose and Fragment 3-Aminobenzamide

Enzymatic activity of Human SIRT6 in Complex with Adp-Ribose and Fragment 3-Aminobenzamide

All present enzymatic activity of Human SIRT6 in Complex with Adp-Ribose and Fragment 3-Aminobenzamide:
2.3.1.286;

Protein crystallography data

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment 3-Aminobenzamide, PDB code: 8akf 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)*	45.52 / 1.97
*Space group*	P 6₃
*Cell size a, b, c (Å), α, β, γ (°)*	91.033, 91.033, 143.095, 90, 90, 120
*R / R_free (%)*	18.4 / 22.5

Other elements in 8akf:

The structure of Human SIRT6 in Complex with Adp-Ribose and Fragment 3-Aminobenzamide also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human SIRT6 in Complex with Adp-Ribose and Fragment 3-Aminobenzamide (pdb code 8akf). 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 Human SIRT6 in Complex with Adp-Ribose and Fragment 3-Aminobenzamide, PDB code: 8akf:

Chlorine binding site 1 out of 1 in 8akf

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Chlorine Binding Sites List in 8akf

Chlorine binding site 1 out of 1 in the Human SIRT6 in Complex with Adp-Ribose and Fragment 3-Aminobenzamide

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 Adp-Ribose and Fragment 3-Aminobenzamide within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl410 b:70.8 occ:1.00	CB	A:MET157	3.5	66.6	1.0
	SD	A:MET157	4.2	74.1	1.0
	CE	A:MET157	4.4	74.0	1.0
	CG2	A:ILE185	4.4	52.8	1.0
	C	A:MET157	4.5	62.0	1.0
	CG	A:ASP187	4.5	59.5	1.0
	CG	A:MET157	4.5	68.3	1.0
	OD2	A:ASP187	4.5	66.5	1.0
	CA	A:MET157	4.6	64.0	1.0
	O	A:MET157	4.7	70.2	1.0
	OD1	A:ASP187	4.7	62.2	1.0
	O	A:LEU186	4.7	33.1	1.0
	N	A:GLY158	4.7	53.6	1.0
	CA	A:ASP187	4.8	52.6	1.0
	CB	A:ASP187	4.9	55.5	1.0

Reference:

W.You, C.Steegborn. Development of Novel Sirtuin 6 Inhibitors and Activators Based on A Protein Crystallography-Based Fragment Screen To Be Published.

Page generated: Thu Dec 28 03:00:24 2023

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