Chlorine in PDB 7g01: Crystal Structure of Human FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid

The structure of Crystal Structure of Human FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid, PDB code: 7g01 was solved by A.Ehler, J.Benz, U.Obst, M.Ceccarelli-Simona, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.15 / 1.17
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.444, 62.444, 74.999, 90, 90, 90
R / Rfree (%)	15.4 / 17.1

The binding sites of Chlorine atom in the Crystal Structure of Human FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid (pdb code 7g01). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid, PDB code: 7g01:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid


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 FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:28.4 occ:0.50 CL1 A:5M7203 0.0 28.4 0.5 CL1 A:5M7203 1.1 21.6 0.5 C8 A:5M7203 1.7 20.2 0.5 C8 A:5M7203 2.4 16.7 0.5 C7 A:5M7203 2.7 19.8 0.5 C9 A:5M7203 2.7 23.2 0.5 C7 A:5M7203 2.9 17.6 0.5 CE A:MET35 3.5 21.2 0.5 O A:LEU32 3.6 22.7 1.0 C9 A:5M7203 3.6 18.5 0.5 CB A:LEU32 3.6 21.9 1.0 CD2 A:LEU32 3.8 28.9 1.0 C6 A:5M7203 4.0 17.9 0.5 C10 A:5M7203 4.0 22.9 0.5 C A:LEU32 4.1 18.5 1.0 CA A:LEU32 4.1 19.8 1.0 SD A:MET23 4.2 18.1 1.0 C6 A:5M7203 4.2 17.6 0.5 CG A:LEU32 4.3 23.9 1.0 CG1 A:VAL28 4.3 17.5 1.0 CB A:ASP79 4.4 15.2 1.0 CB A:ALA78 4.4 17.0 1.0 O A:ALA78 4.4 17.2 1.0 N A:ASP79 4.4 14.3 1.0 C A:ALA78 4.5 15.1 1.0 CA A:ASP79 4.5 15.2 1.0 C5 A:5M7203 4.5 19.6 0.5 C10 A:5M7203 4.8 18.6 0.5 CD A:LYS61 4.9 32.2 1.0 CD1 A:LEU32 4.9 29.9 1.0 N A:ARG33 5.0 17.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid


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 FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:21.6 occ:0.50 CL1 A:5M7203 0.0 21.6 0.5 CL1 A:5M7203 1.1 28.4 0.5 C8 A:5M7203 1.4 20.2 0.5 C8 A:5M7203 1.7 16.7 0.5 C9 A:5M7203 1.8 23.2 0.5 C7 A:5M7203 2.6 17.6 0.5 C9 A:5M7203 2.7 18.5 0.5 C7 A:5M7203 2.7 19.8 0.5 C10 A:5M7203 3.2 22.9 0.5 SD A:MET23 3.7 18.1 1.0 C6 A:5M7203 3.8 17.9 0.5 CB A:ASP79 3.8 15.2 1.0 CG1 A:VAL28 3.8 17.5 1.0 C6 A:5M7203 3.9 17.6 0.5 C10 A:5M7203 3.9 18.6 0.5 C5 A:5M7203 4.0 19.6 0.5 CB A:LEU32 4.0 21.9 1.0 O A:LEU32 4.1 22.7 1.0 N A:ASP79 4.2 14.3 1.0 CA A:ASP79 4.3 15.2 1.0 CE A:MET35 4.4 21.2 0.5 CG2 A:VAL28 4.4 17.4 1.0 C5 A:5M7203 4.4 17.8 0.5 CB A:ALA78 4.4 17.0 1.0 C A:LEU32 4.5 18.5 1.0 C A:ALA78 4.6 15.1 1.0 CD2 A:LEU32 4.6 28.9 1.0 CG A:MET23 4.6 16.1 1.0 CA A:LEU32 4.7 19.8 1.0 CB A:VAL28 4.7 15.1 1.0 CG A:ASP79 4.7 14.4 1.0 O A:ALA78 4.7 17.2 1.0 CG A:LEU32 4.8 23.9 1.0 OD1 A:ASP79 4.9 14.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human FABP5 in Complex with 6-Chloro-4-Phenyl-2- Piperidin-1-Ylquinoline-3-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:21.7 occ:0.50 CL1 A:5M7204 0.0 21.7 0.5 C8 A:5M7204 1.7 20.0 0.5 C7 A:5M7204 2.7 19.4 0.5 C9 A:5M7204 2.7 21.5 0.5 CE A:MET38 3.6 26.9 1.0 CA A:MET35 3.7 24.6 0.5 CA A:MET35 3.7 22.9 0.5 CE A:MET35 3.7 16.6 0.5 N A:MET35 3.7 20.7 1.0 CG A:MET35 3.9 32.7 0.5 C10 A:5M7204 4.0 21.8 0.5 CB A:MET35 4.0 22.1 0.5 C6 A:5M7204 4.0 21.8 0.5 CB A:MET35 4.0 28.5 0.5 SD A:MET38 4.2 44.5 1.0 C A:LYS34 4.2 21.6 1.0 CD1 A:LEU60 4.3 26.7 1.0 CB A:LYS34 4.5 19.6 1.0 C5 A:5M7204 4.5 21.2 0.5 O A:LYS34 4.5 24.1 1.0 SD A:MET35 4.6 38.2 0.5 O A:ALA31 4.7 18.5 1.0 CG A:MET35 4.8 21.6 0.5 CD2 A:LEU60 4.9 28.6 1.0 CG A:MET38 4.9 26.6 1.0

U.Obst, C.Magnone, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human FABP5 Complex To Be Published.