Fluorine in PDB 7g0t: Crystal Structure of Human FABP4 in Complex with 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-1-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-1-Carboxylic Acid, PDB code: 7g0t was solved by A.Ehler, J.Benz, U.Obst, M.Maurer, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.81 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.599, 54.69, 73.636, 90, 90, 90
R / Rfree (%)	20.5 / 24.2

The structure of Crystal Structure of Human FABP4 in Complex with 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-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 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-1-Carboxylic Acid (pdb code 7g0t). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human FABP4 in Complex with 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-1-Carboxylic Acid, PDB code: 7g0t:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Human FABP4 in Complex with 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-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 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:50.6 occ:1.00 F20 A:WLF201 0.0 50.6 1.0 C17 A:WLF201 1.3 39.6 1.0 F21 A:WLF201 2.2 44.9 1.0 F22 A:WLF201 2.2 41.9 1.0 C14 A:WLF201 2.3 34.4 1.0 N11 A:WLF201 2.6 33.1 1.0 C13 A:WLF201 2.8 32.5 1.0 C06 A:WLF201 3.3 36.7 1.0 C04 A:WLF201 3.5 34.0 1.0 C16 A:WLF201 3.6 33.8 1.0 C08 A:WLF201 3.7 33.4 1.0 O A:HOH314 3.7 24.1 1.0 O12 A:WLF201 3.8 37.2 1.0 O A:HOH344 3.9 35.6 1.0 CZ A:PHE16 4.0 24.4 1.0 CE1 A:PHE16 4.0 21.6 1.0 N02 A:WLF201 4.0 34.8 1.0 CE2 A:TYR19 4.1 17.1 1.0 C15 A:WLF201 4.2 29.0 1.0 C01 A:WLF201 4.4 35.3 1.0 O A:HOH327 4.6 25.1 1.0 NH2 A:ARG78 4.7 21.2 1.0 C19 A:WLF201 4.7 30.0 1.0 CD2 A:TYR19 4.9 18.0 1.0 C07 A:WLF201 4.9 33.6 1.0 OH A:TYR19 4.9 18.0 1.0 C18 A:WLF201 5.0 31.2 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Human FABP4 in Complex with 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-1-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human FABP4 in Complex with 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:44.9 occ:1.00 F21 A:WLF201 0.0 44.9 1.0 C17 A:WLF201 1.3 39.6 1.0 F22 A:WLF201 2.2 41.9 1.0 F20 A:WLF201 2.2 50.6 1.0 C14 A:WLF201 2.3 34.4 1.0 C16 A:WLF201 3.0 33.8 1.0 O A:HOH344 3.1 35.6 1.0 NH2 A:ARG78 3.3 21.2 1.0 C13 A:WLF201 3.3 32.5 1.0 OD1 A:ASP76 3.4 24.7 1.0 O A:HOH327 3.4 25.1 1.0 O A:HOH314 3.4 24.1 1.0 N11 A:WLF201 3.8 33.1 1.0 O12 A:WLF201 3.8 37.2 1.0 C06 A:WLF201 4.0 36.7 1.0 CB A:THR74 4.1 21.0 1.0 N A:ALA75 4.3 21.5 1.0 C19 A:WLF201 4.3 30.0 1.0 CG A:ASP76 4.4 23.6 1.0 CB A:ALA75 4.5 22.2 1.0 C15 A:WLF201 4.5 29.0 1.0 CZ A:ARG78 4.6 20.7 1.0 OG1 A:THR74 4.6 22.5 1.0 N A:ASP76 4.8 25.9 1.0 CG2 A:THR74 4.8 21.1 1.0 C18 A:WLF201 4.9 31.2 1.0 CA A:ALA75 4.9 23.4 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Human FABP4 in Complex with 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-1-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human FABP4 in Complex with 1-[[4-Chloro-2- (Trifluoromethyl)Phenyl]Carbamoylamino]Cyclopentane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:41.9 occ:1.00 F22 A:WLF201 0.0 41.9 1.0 C17 A:WLF201 1.4 39.6 1.0 F21 A:WLF201 2.2 44.9 1.0 F20 A:WLF201 2.2 50.6 1.0 C14 A:WLF201 2.4 34.4 1.0 C16 A:WLF201 2.8 33.8 1.0 NH2 A:ARG78 3.5 21.2 1.0 C13 A:WLF201 3.7 32.5 1.0 O A:HOH314 3.8 24.1 1.0 CE2 A:TYR19 3.8 17.1 1.0 OD1 A:ASP76 3.9 24.7 1.0 C19 A:WLF201 4.1 30.0 1.0 N11 A:WLF201 4.3 33.1 1.0 CG A:MET20 4.4 17.3 1.0 CG A:ASP76 4.5 23.6 1.0 CD2 A:TYR19 4.5 18.0 1.0 CZ A:PHE16 4.5 24.4 1.0 CG1 A:VAL23 4.6 28.4 1.0 CE1 A:PHE16 4.7 21.6 1.0 CZ A:ARG78 4.7 20.7 1.0 CZ A:TYR19 4.7 17.2 1.0 C15 A:WLF201 4.8 29.0 1.0 OH A:TYR19 4.8 18.0 1.0 O A:HOH344 4.8 35.6 1.0 OD2 A:ASP76 4.8 25.5 1.0 CG2 A:VAL25 5.0 18.7 1.0 C18 A:WLF201 5.0 31.2 1.0

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