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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 6xv1:

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

Zinc (Zn) 2 atoms
Bromine (Br) 1 atom
Chlorine (Cl) 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 Mdl- 801 (pdb code 6xv1). 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 Mdl- 801, PDB code: 6xv1:

Fluorine binding site 1 out of 1 in 6xv1

Go back to Fluorine Binding Sites List in 6xv1
Fluorine binding site 1 out of 1 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 Fluorine with other atoms in the F 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:F403

b:64.7
occ:1.00
 F1 A:8L9403 0.0 64.7 1.0
C39 A:8L9403 1.4 69.2 1.0
C38 A:8L9403 2.4 66.2 1.0
C40 A:8L9403 2.4 65.3 1.0
BR1 A:8L9403 3.0 54.3 1.0
CG2 A:VAL115 3.4 23.7 1.0
C42 A:8L9403 3.6 70.1 1.0
C36 A:8L9403 3.7 67.6 1.0
CZ A:PHE86 3.8 39.9 1.0
CE1 A:PHE86 3.8 36.5 1.0
C35 A:8L9403 4.1 76.9 1.0
CZ A:PHE64 4.2 27.9 1.0
N A:ASP116 4.5 23.4 1.0
CB A:ASP116 4.6 25.8 1.0
CE2 A:PHE64 4.6 30.0 1.0
CA A:ASP116 4.6 23.6 1.0
CG2 A:ILE61 4.7 31.0 1.0
CB A:VAL115 4.8 23.0 1.0
C A:VAL115 4.8 19.6 1.0
C43 A:8L9403 4.9 72.6 1.0
N A:VAL115 4.9 22.8 1.0
CE2 A:PHE86 5.0 37.0 1.0

Reference:

W.You, C.Steegborn. Crystal Structures of SIRT6 Complexes with the Allosteric Activator Mdl-801 Reveal Binding Site and Interaction Details To Be Published.
Page generated: Sun Dec 13 13:38:00 2020

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