Fluorine in PDB 6zu4: Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Fluvastatin

Enzymatic activity of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Fluvastatin

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

Protein crystallography data

The structure of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Fluvastatin, PDB code: 6zu4 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) 45.70 / 2.46
Space group P 63
Cell size a, b, c (Å), α, β, γ (°) 91.407, 91.407, 144.277, 90.00, 90.00, 120.00
R / Rfree (%) 15.2 / 20.5

Other elements in 6zu4:

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

Zinc (Zn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Fluvastatin (pdb code 6zu4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Fluvastatin, PDB code: 6zu4:

Fluorine binding site 1 out of 1 in 6zu4

Go back to Fluorine Binding Sites List in 6zu4
Fluorine binding site 1 out of 1 in the Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Fluvastatin


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human SIRT6 13-308 in Complex with Adp-Ribose and the Activator Fluvastatin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F403

b:71.5
occ:1.00
F1 B:115403 0.0 71.5 1.0
C84 B:115403 1.4 85.3 1.0
C83 B:115403 2.3 93.6 1.0
C85 B:115403 2.4 85.5 1.0
C82 B:115403 3.6 99.5 1.0
C86 B:115403 3.6 91.5 1.0
CG B:PRO80 3.9 53.6 1.0
C81 B:115403 4.1 92.2 1.0
CE1 B:PHE82 4.2 46.2 1.0
CD B:PRO80 4.5 57.4 1.0
O B:PRO80 4.8 48.8 1.0
CD1 B:PHE82 4.8 44.5 1.0

Reference:

W.You, C.Steegborn. Structural Basis For Activation of Human Sirtuin 6 By Fluvastatin. Acs Med.Chem.Lett. V. 11 2285 2020.
ISSN: ISSN 1948-5875
PubMed: 33214841
DOI: 10.1021/ACSMEDCHEMLETT.0C00407
Page generated: Sun Dec 13 13:46:35 2020

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