Chlorine in PDB 5hz5: FABP5 in Complex with 6-Chloro-4-Phenyl-2-Piperidin-1-Yl-3-(1H- Tetrazol-5-Yl)-Quinoline

The structure of FABP5 in Complex with 6-Chloro-4-Phenyl-2-Piperidin-1-Yl-3-(1H- Tetrazol-5-Yl)-Quinoline, PDB code: 5hz5 was solved by A.Ehler, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.40 / 1.40
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.790, 62.790, 75.350, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 22.8

The binding sites of Chlorine atom in the FABP5 in Complex with 6-Chloro-4-Phenyl-2-Piperidin-1-Yl-3-(1H- Tetrazol-5-Yl)-Quinoline (pdb code 5hz5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the FABP5 in Complex with 6-Chloro-4-Phenyl-2-Piperidin-1-Yl-3-(1H- Tetrazol-5-Yl)-Quinoline, PDB code: 5hz5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the FABP5 in Complex with 6-Chloro-4-Phenyl-2-Piperidin-1-Yl-3-(1H- Tetrazol-5-Yl)-Quinoline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of FABP5 in Complex with 6-Chloro-4-Phenyl-2-Piperidin-1-Yl-3-(1H- Tetrazol-5-Yl)-Quinoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:37.7 occ:0.50 CL A:65X203 0.0 37.7 0.5 CL A:65X203 0.3 29.3 0.5 C1 A:65X203 1.7 26.9 0.5 C1 A:65X203 2.0 26.5 0.5 O A:HOH392 2.6 20.1 0.3 C6 A:65X203 2.7 24.2 0.5 C2 A:65X203 2.7 26.8 0.5 C6 A:65X203 2.8 23.5 0.5 C2 A:65X203 3.0 26.6 0.5 CB A:LEU32 3.6 19.2 1.0 O A:LEU32 3.7 19.6 1.0 CD2 A:LEU32 3.7 27.1 1.0 CE A:MET35 3.8 36.6 0.5 C3 A:65X203 4.0 26.6 0.5 C5 A:65X203 4.0 20.6 0.5 CB A:ASP79 4.1 16.6 1.0 C5 A:65X203 4.2 21.8 0.5 CG A:LEU32 4.2 25.3 1.0 C A:LEU32 4.2 18.3 1.0 C3 A:65X203 4.2 25.6 0.5 SD A:MET23 4.2 19.9 1.0 CG1 A:VAL28 4.2 19.8 1.0 CA A:ASP79 4.3 17.0 1.0 N A:ASP79 4.3 14.8 1.0 CA A:LEU32 4.3 17.4 1.0 C A:ALA78 4.4 17.1 1.0 CB A:ALA78 4.5 14.6 1.0 C4 A:65X203 4.5 22.9 0.5 O A:ALA78 4.5 18.6 1.0 CD1 A:LEU32 4.6 26.7 1.0 C4 A:65X203 4.7 23.2 0.5

Chlorine binding site 2 out of 2 in the FABP5 in Complex with 6-Chloro-4-Phenyl-2-Piperidin-1-Yl-3-(1H- Tetrazol-5-Yl)-Quinoline


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of FABP5 in Complex with 6-Chloro-4-Phenyl-2-Piperidin-1-Yl-3-(1H- Tetrazol-5-Yl)-Quinoline within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:29.3 occ:0.50 CL A:65X203 0.0 29.3 0.5 CL A:65X203 0.3 37.7 0.5 C1 A:65X203 1.5 26.9 0.5 C1 A:65X203 1.7 26.5 0.5 C2 A:65X203 2.4 26.8 0.5 C6 A:65X203 2.6 24.2 0.5 C6 A:65X203 2.7 23.5 0.5 C2 A:65X203 2.7 26.6 0.5 O A:HOH392 2.9 20.1 0.3 C3 A:65X203 3.7 26.6 0.5 CB A:LEU32 3.8 19.2 1.0 C5 A:65X203 3.8 20.6 0.5 O A:LEU32 3.9 19.6 1.0 C3 A:65X203 4.0 25.6 0.5 CD2 A:LEU32 4.0 27.1 1.0 CB A:ASP79 4.0 16.6 1.0 C5 A:65X203 4.0 21.8 0.5 CE A:MET35 4.0 36.6 0.5 SD A:MET23 4.0 19.9 1.0 CG1 A:VAL28 4.2 19.8 1.0 CA A:ASP79 4.2 17.0 1.0 N A:ASP79 4.3 14.8 1.0 C4 A:65X203 4.3 22.9 0.5 C A:LEU32 4.3 18.3 1.0 CG A:LEU32 4.4 25.3 1.0 C A:ALA78 4.5 17.1 1.0 CB A:ALA78 4.5 14.6 1.0 C4 A:65X203 4.5 23.2 0.5 CA A:LEU32 4.5 17.4 1.0 O A:ALA78 4.6 18.6 1.0 CD1 A:LEU32 4.8 26.7 1.0 CG2 A:VAL28 4.9 16.8 1.0

H.Kuhne, U.Obst-Sander, B.Kuhn, A.Conte, S.M.Ceccarelli, W.Neidhart, M.G.Rudolph, G.Ottaviani, R.Gasser, S.S.So, S.Li, X.Zhang, L.Gao, M.Myers. Design and Synthesis of Selective, Dual Fatty Acid Binding Protein 4 and 5 Inhibitors. Bioorg. Med. Chem. Lett. V. 26 5092 2016.
ISSN: ESSN 1464-3405
PubMed: 27658368
DOI: 10.1016/J.BMCL.2016.08.071