Fluorine in PDB 7fw7: Crystal Structure of Human FABP4 in Complex with 2-[(3-Chloro-4- Fluorophenyl)Carbamoyl]Cyclohexane-1-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 2-[(3-Chloro-4- Fluorophenyl)Carbamoyl]Cyclohexane-1-Carboxylic Acid, PDB code: 7fw7 was solved by A.Ehler, J.Benz, U.Obst, M.Brunner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.69 / 1.06
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.478, 53.662, 75.241, 90, 90, 90
R / Rfree (%)	15.6 / 18.7

The structure of Crystal Structure of Human FABP4 in Complex with 2-[(3-Chloro-4- Fluorophenyl)Carbamoyl]Cyclohexane-1-Carboxylic Acid also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Human FABP4 in Complex with 2-[(3-Chloro-4- Fluorophenyl)Carbamoyl]Cyclohexane-1-Carboxylic Acid (pdb code 7fw7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Human FABP4 in Complex with 2-[(3-Chloro-4- Fluorophenyl)Carbamoyl]Cyclohexane-1-Carboxylic Acid, PDB code: 7fw7:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human FABP4 in Complex with 2-[(3-Chloro-4- Fluorophenyl)Carbamoyl]Cyclohexane-1-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human FABP4 in Complex with 2-[(3-Chloro-4- Fluorophenyl)Carbamoyl]Cyclohexane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:23.5 occ:1.00 F16 A:KWX201 0.0 23.5 1.0 C10 A:KWX201 1.3 22.7 1.0 C6 A:KWX201 2.3 23.1 1.0 C12 A:KWX201 2.5 21.0 1.0 CL13 A:KWX201 2.8 23.7 1.0 OG A:SER55 2.9 16.2 1.0 CD2 A:PHE57 3.4 19.3 1.0 N A:LYS58 3.4 14.0 1.0 O A:LYS58 3.5 15.2 1.0 CB A:PHE57 3.6 15.0 1.0 C7 A:KWX201 3.6 21.4 1.0 C15 A:KWX201 3.6 25.8 1.0 CB A:LYS58 3.7 20.1 0.5 CB A:LYS58 3.8 16.1 0.5 CG A:PHE57 3.9 16.9 1.0 CA A:LYS58 4.0 14.1 0.5 CA A:LYS58 4.0 13.1 0.5 CB A:SER55 4.1 15.2 1.0 C8 A:KWX201 4.1 22.4 1.0 C A:LYS58 4.1 14.3 1.0 C A:PHE57 4.3 14.0 1.0 CE2 A:PHE57 4.4 19.9 1.0 CA A:PHE57 4.4 14.2 1.0 CB A:ALA75 4.4 16.5 1.0 CB A:ALA36 4.5 14.9 1.0 CG A:LYS58 4.5 14.6 0.5 N A:PHE57 4.7 12.9 1.0

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