Chlorine in PDB 7fx5: Crystal Structure of Human FABP4 in Complex with 5-[[3-(3-Cyclopropyl- 1,2,4-Oxadiazol-5-Yl)-6,6-Difluoro-5,7-Dihydro-4H-1-Benzothiophen-2- Yl]Carbamoyl]-3,6-Dihydro-2H-Pyran-4-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 5-[[3-(3-Cyclopropyl- 1,2,4-Oxadiazol-5-Yl)-6,6-Difluoro-5,7-Dihydro-4H-1-Benzothiophen-2- Yl]Carbamoyl]-3,6-Dihydro-2H-Pyran-4-Carboxylic Acid, PDB code: 7fx5 was solved by A.Ehler, J.Benz, U.Obst, H.Richter, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.59 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.519, 53.745, 74.52, 90, 90, 90
R / Rfree (%)	15.4 / 18.4

The structure of Crystal Structure of Human FABP4 in Complex with 5-[[3-(3-Cyclopropyl- 1,2,4-Oxadiazol-5-Yl)-6,6-Difluoro-5,7-Dihydro-4H-1-Benzothiophen-2- Yl]Carbamoyl]-3,6-Dihydro-2H-Pyran-4-Carboxylic Acid also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 5-[[3-(3-Cyclopropyl- 1,2,4-Oxadiazol-5-Yl)-6,6-Difluoro-5,7-Dihydro-4H-1-Benzothiophen-2- Yl]Carbamoyl]-3,6-Dihydro-2H-Pyran-4-Carboxylic Acid (pdb code 7fx5). 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 Crystal Structure of Human FABP4 in Complex with 5-[[3-(3-Cyclopropyl- 1,2,4-Oxadiazol-5-Yl)-6,6-Difluoro-5,7-Dihydro-4H-1-Benzothiophen-2- Yl]Carbamoyl]-3,6-Dihydro-2H-Pyran-4-Carboxylic Acid, PDB code: 7fx5:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human FABP4 in Complex with 5-[[3-(3-Cyclopropyl- 1,2,4-Oxadiazol-5-Yl)-6,6-Difluoro-5,7-Dihydro-4H-1-Benzothiophen-2- Yl]Carbamoyl]-3,6-Dihydro-2H-Pyran-4-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 FABP4 in Complex with 5-[[3-(3-Cyclopropyl- 1,2,4-Oxadiazol-5-Yl)-6,6-Difluoro-5,7-Dihydro-4H-1-Benzothiophen-2- Yl]Carbamoyl]-3,6-Dihydro-2H-Pyran-4-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:34.6 occ:1.00 H A:LEU86 3.1 12.3 1.0 HB3 A:LEU66 3.2 13.1 1.0 HB A:THR85 3.4 13.4 1.0 HG22 A:THR85 3.5 15.4 1.0 HA A:THR85 3.6 11.1 1.0 N A:LEU86 4.0 12.1 1.0 CB A:THR85 4.0 13.4 1.0 CG2 A:THR85 4.1 15.5 1.0 CB A:LEU66 4.1 13.2 1.0 HD13 A:LEU66 4.1 17.1 1.0 HB2 A:LEU66 4.1 12.6 1.0 CA A:THR85 4.3 10.9 1.0 O A:LEU86 4.3 37.5 1.0 HG21 A:THR85 4.3 15.3 1.0 HA3 A:GLY67 4.4 11.6 1.0 HD22 A:LEU66 4.6 13.8 1.0 C A:LEU66 4.6 11.3 1.0 N A:GLY67 4.6 12.7 1.0 HB3 A:LEU86 4.7 24.4 1.0 C A:THR85 4.7 11.0 1.0 HB2 A:LEU86 4.7 23.0 1.0 H A:GLY67 4.8 12.0 1.0 O A:LEU66 4.9 12.7 1.0 CD1 A:LEU66 4.9 18.1 1.0 HA2 A:GLY67 4.9 12.3 1.0 CA A:GLY67 4.9 12.7 1.0 CA A:LEU86 4.9 15.2 1.0 HG23 A:THR85 5.0 15.2 1.0 CA A:LEU66 5.0 11.7 1.0

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