Fluorine in PDB 5lx3: Crystal Structure of Visfatin in Complex with SAR154782.

All present enzymatic activity of Crystal Structure of Visfatin in Complex with SAR154782.:
2.4.2.12;

The structure of Crystal Structure of Visfatin in Complex with SAR154782., PDB code: 5lx3 was solved by T.Bertrand, J.P.Marquette, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.93 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.510, 107.130, 83.590, 90.00, 96.69, 90.00
R / Rfree (%)	17.2 / 21.1

The binding sites of Fluorine atom in the Crystal Structure of Visfatin in Complex with SAR154782. (pdb code 5lx3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Visfatin in Complex with SAR154782., PDB code: 5lx3:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Visfatin in Complex with SAR154782.


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 Visfatin in Complex with SAR154782. within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:10.4 occ:1.00 F23 A:7A1501 0.0 10.4 1.0 C18 A:7A1501 1.3 9.5 1.0 C17 A:7A1501 2.3 8.0 1.0 C19 A:7A1501 2.4 8.8 1.0 N22 A:7A1501 2.7 7.5 1.0 CE1 A:HIS191 2.9 11.2 1.0 N A:VAL242 3.3 8.2 1.0 NE2 A:HIS191 3.3 11.6 1.0 OG A:SER241 3.5 13.9 1.0 O A:HOH774 3.6 3.2 1.0 ND1 A:HIS191 3.6 11.8 1.0 C20 A:7A1501 3.6 8.1 1.0 C16 A:7A1501 3.6 8.1 1.0 CG2 A:VAL242 3.6 11.6 1.0 CA A:SER241 3.7 7.6 1.0 OD1 A:ASP219 3.7 10.6 1.0 C A:SER241 3.9 11.0 1.0 C24 A:7A1501 4.0 9.1 1.0 C21 A:7A1501 4.1 7.7 1.0 CB A:SER241 4.1 9.7 1.0 CD2 A:HIS191 4.1 11.8 1.0 O A:VAL242 4.2 9.8 1.0 CA A:VAL242 4.2 7.9 1.0 CB A:VAL242 4.3 11.7 1.0 CG A:HIS191 4.3 10.2 1.0 CG1 A:VAL242 4.3 11.6 1.0 O A:HOH856 4.4 10.3 1.0 N25 A:7A1501 4.6 10.9 1.0 C A:VAL242 4.7 11.3 1.0 O A:TYR240 4.7 11.5 1.0 C2 A:7A1501 4.8 9.4 1.0 CG A:ASP219 4.9 11.6 1.0 O26 A:7A1501 4.9 8.2 1.0 N A:SER241 4.9 8.2 1.0 C1 A:7A1501 4.9 10.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Visfatin in Complex with SAR154782.


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 Visfatin in Complex with SAR154782. within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:5.6 occ:1.00 F23 B:7A1501 0.0 5.6 1.0 C18 B:7A1501 1.3 7.2 1.0 C19 B:7A1501 2.3 7.3 1.0 C17 B:7A1501 2.3 9.2 1.0 N22 B:7A1501 2.7 6.0 1.0 CE1 B:HIS191 3.0 12.5 1.0 NE2 B:HIS191 3.3 12.9 1.0 N B:VAL242 3.4 7.5 1.0 OG B:SER241 3.4 11.2 1.0 O B:HOH795 3.5 10.8 1.0 C20 B:7A1501 3.6 7.8 1.0 C16 B:7A1501 3.6 9.1 1.0 ND1 B:HIS191 3.6 13.2 1.0 CA B:SER241 3.7 8.0 1.0 OD1 B:ASP219 3.8 12.7 1.0 CG2 B:VAL242 3.9 11.3 1.0 C B:SER241 4.0 11.2 1.0 C24 B:7A1501 4.0 6.9 1.0 C21 B:7A1501 4.1 8.4 1.0 CD2 B:HIS191 4.1 13.1 1.0 CB B:SER241 4.1 9.4 1.0 CG B:HIS191 4.3 11.6 1.0 O B:VAL242 4.3 10.8 1.0 CG1 B:VAL242 4.3 11.2 1.0 CA B:VAL242 4.4 7.4 1.0 CB B:VAL242 4.4 11.5 1.0 O B:HOH889 4.4 14.1 1.0 N25 B:7A1501 4.6 7.1 1.0 O B:TYR240 4.7 12.2 1.0 C2 B:7A1501 4.8 9.4 1.0 C B:VAL242 4.8 11.7 1.0 O26 B:7A1501 4.9 8.9 1.0 CG B:ASP219 4.9 12.9 1.0 C1 B:7A1501 4.9 10.3 1.0 N B:SER241 4.9 9.0 1.0

T.Bertrand, J.P.Marquette. Crystal Structure of Visfatin in Complex with SAR154782. To Be Published.