Chlorine in PDB 7g0a: Crystal Structure of Human FABP4 in Complex with 5-(6-Chloro-4-Phenyl- 2-Piperidin-1-Ylquinolin-3-Yl)-3H-1,3,4-Oxadiazol-2-One

The structure of Crystal Structure of Human FABP4 in Complex with 5-(6-Chloro-4-Phenyl- 2-Piperidin-1-Ylquinolin-3-Yl)-3H-1,3,4-Oxadiazol-2-One, PDB code: 7g0a was solved by A.Ehler, J.Benz, U.Obst, H.Kuhne, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.69 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.503, 53.894, 74.622, 90, 90, 90
R / Rfree (%)	14 / 17.5

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 5-(6-Chloro-4-Phenyl- 2-Piperidin-1-Ylquinolin-3-Yl)-3H-1,3,4-Oxadiazol-2-One (pdb code 7g0a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human FABP4 in Complex with 5-(6-Chloro-4-Phenyl- 2-Piperidin-1-Ylquinolin-3-Yl)-3H-1,3,4-Oxadiazol-2-One, PDB code: 7g0a:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human FABP4 in Complex with 5-(6-Chloro-4-Phenyl- 2-Piperidin-1-Ylquinolin-3-Yl)-3H-1,3,4-Oxadiazol-2-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human FABP4 in Complex with 5-(6-Chloro-4-Phenyl- 2-Piperidin-1-Ylquinolin-3-Yl)-3H-1,3,4-Oxadiazol-2-One within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:17.7 occ:0.70 CL19 A:WJU201 0.0 17.7 0.7 CL19 A:WJU201 0.1 14.0 0.3 C1 A:WJU201 1.7 13.2 0.3 C1 A:WJU201 1.7 14.6 0.7 C6 A:WJU201 2.6 14.3 0.7 C6 A:WJU201 2.7 14.0 0.3 C2 A:WJU201 2.7 15.5 0.3 C2 A:WJU201 2.7 15.9 0.7 CG2 A:THR29 3.5 13.7 1.0 CB A:ASP76 3.6 16.2 1.0 CB A:ALA33 3.7 13.4 1.0 SD A:MET20 3.8 11.9 1.0 C5 A:WJU201 4.0 13.4 0.7 CG1 A:VAL25 4.0 12.2 1.0 C3 A:WJU201 4.0 14.1 0.3 C3 A:WJU201 4.0 15.4 0.7 C5 A:WJU201 4.0 13.1 0.3 N A:ASP76 4.0 16.2 1.0 CA A:ASP76 4.1 17.3 1.0 CG A:ASP76 4.3 15.7 1.0 CE2 A:PHE57 4.3 20.2 1.0 CG2 A:VAL25 4.3 12.3 1.0 OD1 A:ASP76 4.4 14.8 1.0 C A:ALA75 4.5 16.7 1.0 C4 A:WJU201 4.5 14.6 0.7 C4 A:WJU201 4.5 11.4 0.3 CB A:ALA75 4.6 16.6 1.0 O A:THR29 4.6 11.2 1.0 CB A:VAL25 4.8 10.9 1.0 O A:ALA75 4.8 20.0 1.0 CG A:MET20 4.8 10.8 1.0 CB A:THR29 4.8 11.7 1.0 CZ A:PHE57 4.9 25.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 5-(6-Chloro-4-Phenyl- 2-Piperidin-1-Ylquinolin-3-Yl)-3H-1,3,4-Oxadiazol-2-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human FABP4 in Complex with 5-(6-Chloro-4-Phenyl- 2-Piperidin-1-Ylquinolin-3-Yl)-3H-1,3,4-Oxadiazol-2-One within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.0 occ:0.30 CL19 A:WJU201 0.0 14.0 0.3 CL19 A:WJU201 0.1 17.7 0.7 C1 A:WJU201 1.7 13.2 0.3 C1 A:WJU201 1.7 14.6 0.7 C6 A:WJU201 2.6 14.3 0.7 C6 A:WJU201 2.7 14.0 0.3 C2 A:WJU201 2.7 15.5 0.3 C2 A:WJU201 2.7 15.9 0.7 CG2 A:THR29 3.5 13.7 1.0 CB A:ASP76 3.6 16.2 1.0 CB A:ALA33 3.7 13.4 1.0 SD A:MET20 3.7 11.9 1.0 CG1 A:VAL25 4.0 12.2 1.0 C5 A:WJU201 4.0 13.4 0.7 C3 A:WJU201 4.0 15.4 0.7 C3 A:WJU201 4.0 14.1 0.3 C5 A:WJU201 4.0 13.1 0.3 N A:ASP76 4.1 16.2 1.0 CA A:ASP76 4.2 17.3 1.0 CG2 A:VAL25 4.3 12.3 1.0 CE2 A:PHE57 4.3 20.2 1.0 CG A:ASP76 4.3 15.7 1.0 OD1 A:ASP76 4.5 14.8 1.0 C4 A:WJU201 4.5 14.6 0.7 C A:ALA75 4.5 16.7 1.0 C4 A:WJU201 4.5 11.4 0.3 O A:THR29 4.6 11.2 1.0 CB A:ALA75 4.6 16.6 1.0 CG A:MET20 4.8 10.8 1.0 CB A:VAL25 4.8 10.9 1.0 CB A:THR29 4.8 11.7 1.0 O A:ALA75 4.8 20.0 1.0 CZ A:PHE57 4.9 25.0 1.0 C A:THR29 5.0 10.9 1.0

U.Obst, C.Magnone, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human FABP4 Complex To Be Published.