Chlorine in PDB 5hz6: FABP4 in Complex with 6-Chloro-2-Isopropyl-4-(3-Isopropyl-Phenyl)- Quinoline-3-Carboxylic Acid

The structure of FABP4 in Complex with 6-Chloro-2-Isopropyl-4-(3-Isopropyl-Phenyl)- Quinoline-3-Carboxylic Acid, PDB code: 5hz6 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)	42.86 / 1.14
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	31.753, 53.256, 72.193, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 17.3

The binding sites of Chlorine atom in the FABP4 in Complex with 6-Chloro-2-Isopropyl-4-(3-Isopropyl-Phenyl)- Quinoline-3-Carboxylic Acid (pdb code 5hz6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the FABP4 in Complex with 6-Chloro-2-Isopropyl-4-(3-Isopropyl-Phenyl)- Quinoline-3-Carboxylic Acid, PDB code: 5hz6:

Chlorine binding site 1 out of 1 in the FABP4 in Complex with 6-Chloro-2-Isopropyl-4-(3-Isopropyl-Phenyl)- Quinoline-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 FABP4 in Complex with 6-Chloro-2-Isopropyl-4-(3-Isopropyl-Phenyl)- Quinoline-3-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.6 occ:1.00 CL1 A:65Y201 0.0 14.6 1.0 C9 A:65Y201 1.7 12.1 1.0 C10 A:65Y201 2.7 11.9 1.0 C8 A:65Y201 2.7 12.7 1.0 CG2 A:THR30 3.7 15.4 1.0 CB A:ASP77 3.7 13.5 1.0 SD A:MET21 3.7 12.1 1.0 CB A:ALA34 3.8 13.2 1.0 CG1 A:VAL26 3.8 14.7 1.0 C13 A:65Y201 4.0 12.1 1.0 C11 A:65Y201 4.0 12.4 1.0 CG2 A:VAL26 4.0 13.6 1.0 N A:ASP77 4.2 11.4 1.0 CG A:ASP77 4.3 13.0 1.0 CA A:ASP77 4.3 12.7 1.0 CG A:MET21 4.4 10.3 1.0 OD1 A:ASP77 4.4 12.2 1.0 C12 A:65Y201 4.5 11.8 1.0 CB A:VAL26 4.6 12.3 1.0 CB A:ALA76 4.6 13.1 1.0 C A:ALA76 4.7 12.4 1.0 CZ A:PHE58 4.7 16.2 1.0 CE2 A:PHE58 4.9 15.9 1.0 O A:THR30 4.9 14.4 1.0 CB A:THR30 4.9 14.6 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