Chlorine in PDB 5edb: Human Fatty Acid Binding Protein 4 in Complex with 6-Chloro-2-Methyl- 4-Phenyl-Quinoline-3-Carboxylic Acid at 1.18A

The structure of Human Fatty Acid Binding Protein 4 in Complex with 6-Chloro-2-Methyl- 4-Phenyl-Quinoline-3-Carboxylic Acid at 1.18A, PDB code: 5edb was solved by M.G.Rudolph, A.Ehler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.70 / 1.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.297, 54.025, 75.462, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.7

The binding sites of Chlorine atom in the Human Fatty Acid Binding Protein 4 in Complex with 6-Chloro-2-Methyl- 4-Phenyl-Quinoline-3-Carboxylic Acid at 1.18A (pdb code 5edb). 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 Human Fatty Acid Binding Protein 4 in Complex with 6-Chloro-2-Methyl- 4-Phenyl-Quinoline-3-Carboxylic Acid at 1.18A, PDB code: 5edb:

Chlorine binding site 1 out of 1 in the Human Fatty Acid Binding Protein 4 in Complex with 6-Chloro-2-Methyl- 4-Phenyl-Quinoline-3-Carboxylic Acid at 1.18A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Fatty Acid Binding Protein 4 in Complex with 6-Chloro-2-Methyl- 4-Phenyl-Quinoline-3-Carboxylic Acid at 1.18A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.8 occ:1.00 CL1 A:5M8201 0.0 20.8 1.0 C12 A:5M8201 1.7 18.3 1.0 C14 A:5M8201 2.6 17.3 1.0 C8 A:5M8201 2.7 17.1 1.0 CB A:ASP77 3.5 16.3 1.0 CB A:ALA34 3.6 12.6 1.0 CG2 A:THR30 3.7 14.5 1.0 SD A:MET21 3.7 13.4 1.0 C11 A:5M8201 3.9 17.6 1.0 CE2 A:PHE58 4.0 21.2 1.0 C3 A:5M8201 4.0 15.5 1.0 CG1 A:VAL26 4.0 13.9 1.0 CG2 A:VAL26 4.2 13.9 1.0 CA A:ASP77 4.2 16.3 1.0 CG A:ASP77 4.2 15.0 1.0 CZ A:PHE58 4.3 20.5 1.0 N A:ASP77 4.3 15.0 1.0 C6 A:5M8201 4.4 16.9 1.0 CG A:MET21 4.5 11.5 1.0 OD1 A:ASP77 4.5 15.1 1.0 O A:THR30 4.7 12.2 1.0 CB A:VAL26 4.7 12.0 1.0 C A:ALA76 4.8 16.2 1.0 CB A:ALA76 4.9 16.2 1.0 OD2 A:ASP77 5.0 15.5 1.0

B.Kuhn, W.Guba, J.Hert, D.Banner, C.Bissantz, S.Ceccarelli, W.Haap, M.Korner, A.Kuglstatter, C.Lerner, P.Mattei, W.Neidhart, E.Pinard, M.G.Rudolph, T.Schulz-Gasch, T.Woltering, M.Stahl. A Real-World Perspective on Molecular Design. J.Med.Chem. V. 59 4087 2016.
ISSN: ISSN 0022-2623
PubMed: 26878596
DOI: 10.1021/ACS.JMEDCHEM.5B01875