Fluorine in PDB 8f7l: Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S

All present enzymatic activity of Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S:
2.4.2.12;

The structure of Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S, PDB code: 8f7l was solved by K.Ratia, R.Xiong, Z.Shen, G.R.Thatcher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.58 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.888, 106.997, 83.603, 90, 96.88, 90
R / Rfree (%)	22.6 / 26.4

The structure of Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S (pdb code 8f7l). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S, PDB code: 8f7l:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S within 5.0Å range: probe atom residue distance (Å) B Occ A:F1003 b:36.3 occ:0.70 F27 A:XI31003 0.0 36.3 0.7 C26 A:XI31003 1.3 30.7 0.7 O A:HOH1214 2.3 31.4 0.3 C25 A:XI31003 2.4 30.0 0.7 O A:HOH1219 2.4 30.0 0.3 C28 A:XI31003 2.4 31.5 0.7 C29 A:XI31003 2.8 29.1 0.7 CB A:HIS191 3.1 22.3 1.0 CD1 A:ILE351 3.4 32.5 1.0 ND1 A:HIS191 3.5 25.2 1.0 CG A:HIS191 3.5 25.5 1.0 C30 A:XI31003 3.6 28.5 0.7 O A:HOH1161 3.6 20.5 1.0 C24 A:XI31003 3.7 32.3 0.7 CB A:ALA379 3.9 23.7 1.0 C31 A:XI31003 4.1 31.3 0.7 O A:TYR188 4.1 18.6 1.0 CG1 A:ILE351 4.2 26.7 1.0 O A:PHE380 4.2 29.6 1.0 CA A:HIS191 4.4 23.4 1.0 N A:HIS191 4.5 15.9 1.0 O A:HOH1220 4.5 30.1 0.3 CE1 A:HIS191 4.6 29.1 1.0 CD2 A:HIS191 4.6 24.4 1.0 O A:HOH1213 4.7 22.4 0.3 C A:PHE380 4.8 26.4 1.0 O A:HOH1201 4.8 31.7 0.3 N A:PHE380 4.8 21.8 1.0 N23 A:XI31003 4.9 33.3 0.7

Fluorine binding site 2 out of 2 in the Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S within 5.0Å range: probe atom residue distance (Å) B Occ B:F1103 b:33.7 occ:0.70 F27 B:XI31103 0.0 33.7 0.7 C26 B:XI31103 1.3 29.3 0.7 O B:HOH1324 1.9 30.2 0.3 C25 B:XI31103 2.4 28.4 0.7 C28 B:XI31103 2.4 32.0 0.7 O B:HOH1318 2.5 31.2 0.3 C29 B:XI31103 2.8 30.0 0.7 CB B:HIS191 3.3 23.4 1.0 CD1 B:ILE351 3.4 31.1 1.0 O B:HOH1287 3.6 21.7 1.0 C30 B:XI31103 3.6 29.0 0.7 C24 B:XI31103 3.7 32.3 0.7 ND1 B:HIS191 3.7 26.1 1.0 CB B:ALA379 3.8 26.1 1.0 CG B:HIS191 3.8 24.8 1.0 O B:TYR188 3.9 25.0 1.0 C31 B:XI31103 4.1 35.0 0.7 O B:HOH1325 4.3 29.1 0.3 CG1 B:ILE351 4.4 22.7 1.0 O B:PHE380 4.4 30.2 1.0 CA B:HIS191 4.5 25.4 1.0 O B:HOH1314 4.6 31.6 0.3 N B:HIS191 4.6 16.4 1.0 CE1 B:HIS191 4.7 26.5 1.0 CD2 B:HIS191 4.8 27.7 1.0 O B:HOH1315 4.9 20.5 0.3 N B:PHE380 4.9 26.8 1.0 N23 B:XI31103 4.9 35.0 0.7 C B:PHE380 5.0 25.5 1.0

K.Ratia, R.Xiong, Z.Shen, G.R.Thatcher. Human Nampt in Complex with Substrate Nam and Small Molecule Activator Zn-29-S To Be Published.