Fluorine in PDB 7x3p: Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9

The structure of Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9, PDB code: 7x3p was solved by G.-B.Li, J.Deng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.78 / 1.56
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.332, 65.034, 55.658, 90, 93.58, 90
R / Rfree (%)	13.9 / 16.3

The structure of Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9 (pdb code 7x3p). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9, PDB code: 7x3p:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:16.0 occ:1.00 F43 A:8VG401 0.0 16.0 1.0 C42 A:8VG401 1.4 15.9 1.0 F45 A:8VG401 2.2 15.9 1.0 F44 A:8VG401 2.2 16.4 1.0 C41 A:8VG401 2.3 12.3 1.0 N46 A:8VG401 2.5 18.2 1.0 N47 A:8VG401 2.6 19.5 1.0 C38 A:8VG401 3.7 10.7 1.0 O A:HOH523 3.8 18.2 1.0 OD1 A:ASN226 4.0 16.0 0.3 C37 A:8VG401 4.3 13.1 1.0 C39 A:8VG401 4.8 10.6 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:16.4 occ:1.00 F44 A:8VG401 0.0 16.4 1.0 C42 A:8VG401 1.3 15.9 1.0 F45 A:8VG401 2.2 15.9 1.0 F43 A:8VG401 2.2 16.0 1.0 C41 A:8VG401 2.4 12.3 1.0 C37 A:8VG401 2.9 13.1 1.0 C38 A:8VG401 3.0 10.7 1.0 N47 A:8VG401 3.2 19.5 1.0 N46 A:8VG401 3.6 18.2 1.0 C36 A:8VG401 4.2 14.3 1.0 C39 A:8VG401 4.3 10.6 1.0 OD1 A:ASN226 4.8 16.0 0.3 O A:HOH878 4.9 35.8 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:15.9 occ:1.00 F45 A:8VG401 0.0 15.9 1.0 C42 A:8VG401 1.3 15.9 1.0 F44 A:8VG401 2.2 16.4 1.0 F43 A:8VG401 2.2 16.0 1.0 C41 A:8VG401 2.4 12.3 1.0 C38 A:8VG401 2.9 10.7 1.0 C37 A:8VG401 3.0 13.1 1.0 OD1 A:ASN226 3.1 16.0 0.3 ND2 A:ASN226 3.2 12.8 0.7 N46 A:8VG401 3.2 18.2 1.0 O A:HOH523 3.3 18.2 1.0 N47 A:8VG401 3.6 19.5 1.0 CG A:ASN226 3.9 11.4 0.7 O A:HOH750 4.0 36.3 1.0 C39 A:8VG401 4.2 10.6 1.0 C36 A:8VG401 4.2 14.3 1.0 CG A:ASN226 4.3 9.3 0.3 CB A:ASN226 4.4 10.4 0.7 OD1 A:ASN226 4.7 13.8 0.7 O A:HOH739 5.0 28.6 1.0

G.-B.Li, J.Deng. Crystal Structure of Human SIRT5 in Complex with Diazirine Inhibitor 9 To Be Published.