Fluorine in PDB 5lx5: Crystal Structure of Visfatin in Complex with SAR154782-Rp.

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

The structure of Crystal Structure of Visfatin in Complex with SAR154782-Rp., PDB code: 5lx5 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)	65.51 / 1.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.710, 106.690, 83.460, 90.00, 96.76, 90.00
R / Rfree (%)	16.3 / 19.6

The binding sites of Fluorine atom in the Crystal Structure of Visfatin in Complex with SAR154782-Rp. (pdb code 5lx5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Visfatin in Complex with SAR154782-Rp., PDB code: 5lx5:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of Visfatin in Complex with SAR154782-Rp.


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-Rp. within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:15.5 occ:0.80 F39 A:7A0501 0.0 15.5 0.8 F39 A:7A0501 0.3 16.1 0.2 C13 A:7A0501 1.3 15.7 0.2 C13 A:7A0501 1.4 13.2 0.8 C12 A:7A0501 2.3 14.9 0.2 C7 A:7A0501 2.4 15.8 0.2 C7 A:7A0501 2.4 10.2 0.8 C12 A:7A0501 2.4 11.8 0.8 N32 A:7A0501 2.7 10.2 0.8 N32 A:7A0501 2.7 13.0 0.2 CE1 A:HIS191 3.0 12.2 1.0 OG A:SER241 3.2 14.5 1.0 NE2 A:HIS191 3.2 12.9 1.0 O A:HOH831 3.2 9.6 1.0 OD1 A:ASP219 3.5 12.0 1.0 N A:VAL242 3.5 12.4 1.0 ND1 A:HIS191 3.5 12.6 1.0 C4 A:7A0501 3.6 15.4 0.2 C9 A:7A0501 3.6 16.8 0.2 C4 A:7A0501 3.6 10.7 0.8 C9 A:7A0501 3.6 11.5 0.8 CG2 A:VAL242 3.9 15.8 1.0 C18 A:7A0501 3.9 11.3 0.2 CA A:SER241 3.9 9.2 1.0 CD2 A:HIS191 3.9 13.5 1.0 C18 A:7A0501 4.0 10.6 0.8 C1 A:7A0501 4.0 15.9 0.2 CB A:SER241 4.1 10.4 1.0 C1 A:7A0501 4.1 10.5 0.8 CG A:HIS191 4.1 11.6 1.0 C A:SER241 4.2 14.3 1.0 CZ A:PHE193 4.2 5.2 0.2 O A:VAL242 4.2 13.8 1.0 N35 A:7A0501 4.4 9.2 0.2 CA A:VAL242 4.4 12.7 1.0 CE1 A:PHE193 4.5 6.3 0.2 CB A:VAL242 4.5 16.5 1.0 CG A:ASP219 4.6 11.2 1.0 N35 A:7A0501 4.6 12.3 0.8 O A:HOH872 4.6 17.3 1.0 CG1 A:VAL242 4.7 16.6 1.0 O38 A:7A0501 4.8 12.3 0.2 C A:VAL242 4.8 14.8 1.0 C14 A:7A0501 4.8 18.1 0.2 C14 A:7A0501 4.8 14.3 0.8 CE2 A:PHE193 4.9 21.4 0.8 O38 A:7A0501 4.9 11.3 0.8 O A:TYR240 4.9 12.2 1.0 C5 A:7A0501 5.0 16.4 0.8 OD2 A:ASP219 5.0 14.1 1.0 C5 A:7A0501 5.0 18.9 0.2

Fluorine binding site 2 out of 4 in the Crystal Structure of Visfatin in Complex with SAR154782-Rp.


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-Rp. within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:16.1 occ:0.20 F39 A:7A0501 0.0 16.1 0.2 F39 A:7A0501 0.3 15.5 0.8 C13 A:7A0501 1.3 15.7 0.2 C13 A:7A0501 1.4 13.2 0.8 C12 A:7A0501 2.3 14.9 0.2 C7 A:7A0501 2.4 15.8 0.2 C7 A:7A0501 2.4 10.2 0.8 C12 A:7A0501 2.4 11.8 0.8 N32 A:7A0501 2.7 13.0 0.2 N32 A:7A0501 2.7 10.2 0.8 OG A:SER241 3.1 14.5 1.0 O A:HOH831 3.1 9.6 1.0 CE1 A:HIS191 3.2 12.2 1.0 N A:VAL242 3.2 12.4 1.0 NE2 A:HIS191 3.5 12.9 1.0 CG2 A:VAL242 3.6 15.8 1.0 C4 A:7A0501 3.6 15.4 0.2 C9 A:7A0501 3.6 16.8 0.2 OD1 A:ASP219 3.6 12.0 1.0 C9 A:7A0501 3.6 11.5 0.8 C4 A:7A0501 3.7 10.7 0.8 CA A:SER241 3.8 9.2 1.0 ND1 A:HIS191 3.8 12.6 1.0 C A:SER241 3.9 14.3 1.0 O A:VAL242 3.9 13.8 1.0 CB A:SER241 3.9 10.4 1.0 C18 A:7A0501 4.0 11.3 0.2 C1 A:7A0501 4.1 15.9 0.2 C18 A:7A0501 4.1 10.6 0.8 C1 A:7A0501 4.1 10.5 0.8 CA A:VAL242 4.1 12.7 1.0 CB A:VAL242 4.2 16.5 1.0 CD2 A:HIS191 4.2 13.5 1.0 CG1 A:VAL242 4.4 16.6 1.0 CG A:HIS191 4.4 11.6 1.0 CZ A:PHE193 4.5 5.2 0.2 C A:VAL242 4.5 14.8 1.0 N35 A:7A0501 4.5 9.2 0.2 O A:HOH872 4.6 17.3 1.0 N35 A:7A0501 4.6 12.3 0.8 CG A:ASP219 4.7 11.2 1.0 CE1 A:PHE193 4.7 6.3 0.2 C14 A:7A0501 4.8 18.1 0.2 C14 A:7A0501 4.8 14.3 0.8 O38 A:7A0501 4.9 12.3 0.2 C5 A:7A0501 5.0 16.4 0.8 O A:TYR240 5.0 12.2 1.0 C5 A:7A0501 5.0 18.9 0.2 O38 A:7A0501 5.0 11.3 0.8

Fluorine binding site 3 out of 4 in the Crystal Structure of Visfatin in Complex with SAR154782-Rp.


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 Visfatin in Complex with SAR154782-Rp. within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:14.7 occ:0.80 F39 B:7A0501 0.0 14.7 0.8 F39 B:7A0501 0.3 14.7 0.2 C13 B:7A0501 1.3 14.8 0.2 C13 B:7A0501 1.3 15.6 0.8 C12 B:7A0501 2.3 14.1 0.2 C7 B:7A0501 2.3 15.0 0.8 C7 B:7A0501 2.3 14.8 0.2 C12 B:7A0501 2.4 12.2 0.8 N32 B:7A0501 2.7 10.1 0.8 N32 B:7A0501 2.7 13.4 0.2 CE1 B:HIS191 3.0 13.5 1.0 OG B:SER241 3.2 14.8 1.0 NE2 B:HIS191 3.2 13.9 1.0 O B:HOH767 3.3 15.4 1.0 N B:VAL242 3.5 13.3 1.0 C4 B:7A0501 3.6 14.2 0.2 ND1 B:HIS191 3.6 14.3 1.0 C9 B:7A0501 3.6 15.4 0.2 C4 B:7A0501 3.6 12.3 0.8 C9 B:7A0501 3.6 15.7 0.8 OD1 B:ASP219 3.6 14.4 1.0 CA B:SER241 3.9 13.6 1.0 C18 B:7A0501 3.9 13.6 0.2 CD2 B:HIS191 3.9 14.8 1.0 CG2 B:VAL242 4.0 17.9 1.0 C18 B:7A0501 4.0 11.5 0.8 C1 B:7A0501 4.0 14.5 0.2 CB B:SER241 4.0 15.7 1.0 C1 B:7A0501 4.1 12.8 0.8 CG B:HIS191 4.1 13.7 1.0 C B:SER241 4.2 17.0 1.0 O B:VAL242 4.2 15.1 1.0 CZ B:PHE193 4.4 10.3 0.2 CA B:VAL242 4.4 12.8 1.0 N35 B:7A0501 4.4 12.5 0.2 O B:HOH840 4.5 19.8 1.0 CB B:VAL242 4.5 17.7 1.0 CE1 B:PHE193 4.5 11.5 0.2 N35 B:7A0501 4.6 9.8 0.8 CG1 B:VAL242 4.6 17.8 1.0 CG B:ASP219 4.6 13.7 1.0 C B:VAL242 4.8 15.9 1.0 O38 B:7A0501 4.8 13.7 0.2 C14 B:7A0501 4.8 16.2 0.2 C14 B:7A0501 4.8 18.7 0.8 CE2 B:PHE193 4.9 20.9 0.8 O38 B:7A0501 4.9 12.0 0.8 O B:TYR240 4.9 15.3 1.0 C5 B:7A0501 5.0 20.9 0.8 C5 B:7A0501 5.0 16.8 0.2

Fluorine binding site 4 out of 4 in the Crystal Structure of Visfatin in Complex with SAR154782-Rp.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Visfatin in Complex with SAR154782-Rp. within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:14.7 occ:0.20 F39 B:7A0501 0.0 14.7 0.2 F39 B:7A0501 0.3 14.7 0.8 C13 B:7A0501 1.3 14.8 0.2 C13 B:7A0501 1.4 15.6 0.8 C12 B:7A0501 2.3 14.1 0.2 C7 B:7A0501 2.3 14.8 0.2 C7 B:7A0501 2.4 15.0 0.8 C12 B:7A0501 2.4 12.2 0.8 N32 B:7A0501 2.7 13.4 0.2 N32 B:7A0501 2.7 10.1 0.8 OG B:SER241 3.0 14.8 1.0 N B:VAL242 3.2 13.3 1.0 O B:HOH767 3.2 15.4 1.0 CE1 B:HIS191 3.3 13.5 1.0 NE2 B:HIS191 3.5 13.9 1.0 C4 B:7A0501 3.6 14.2 0.2 C9 B:7A0501 3.6 15.4 0.2 C9 B:7A0501 3.6 15.7 0.8 C4 B:7A0501 3.6 12.3 0.8 CG2 B:VAL242 3.7 17.9 1.0 OD1 B:ASP219 3.7 14.4 1.0 CA B:SER241 3.8 13.6 1.0 ND1 B:HIS191 3.9 14.3 1.0 O B:VAL242 3.9 15.1 1.0 C B:SER241 3.9 17.0 1.0 CB B:SER241 3.9 15.7 1.0 C18 B:7A0501 4.0 13.6 0.2 C1 B:7A0501 4.1 14.5 0.2 CA B:VAL242 4.1 12.8 1.0 C18 B:7A0501 4.1 11.5 0.8 C1 B:7A0501 4.1 12.8 0.8 CB B:VAL242 4.2 17.7 1.0 CD2 B:HIS191 4.2 14.8 1.0 CG1 B:VAL242 4.3 17.8 1.0 C B:VAL242 4.4 15.9 1.0 CG B:HIS191 4.4 13.7 1.0 N35 B:7A0501 4.5 12.5 0.2 O B:HOH840 4.5 19.8 1.0 N35 B:7A0501 4.7 9.8 0.8 CZ B:PHE193 4.7 10.3 0.2 CG B:ASP219 4.8 13.7 1.0 CE1 B:PHE193 4.8 11.5 0.2 C14 B:7A0501 4.8 16.2 0.2 C14 B:7A0501 4.8 18.7 0.8 O38 B:7A0501 4.9 13.7 0.2 C5 B:7A0501 5.0 20.9 0.8 O B:TYR240 5.0 15.3 1.0 C5 B:7A0501 5.0 16.8 0.2 O38 B:7A0501 5.0 12.0 0.8

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