Fluorine in PDB 7g1k: Crystal Structure of Human FABP4 in Complex with 4-(4-Fluorophenyl) Sulfanyl-6-Methyl-2-Phenylpyrimidine-5-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 4-(4-Fluorophenyl) Sulfanyl-6-Methyl-2-Phenylpyrimidine-5-Carboxylic Acid, PDB code: 7g1k was solved by A.Ehler, J.Benz, U.Obst, S.Labadie, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.50 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.391, 53.685, 75.026, 90, 90, 90
R / Rfree (%)	13.5 / 16.2

The binding sites of Fluorine atom in the Crystal Structure of Human FABP4 in Complex with 4-(4-Fluorophenyl) Sulfanyl-6-Methyl-2-Phenylpyrimidine-5-Carboxylic Acid (pdb code 7g1k). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human FABP4 in Complex with 4-(4-Fluorophenyl) Sulfanyl-6-Methyl-2-Phenylpyrimidine-5-Carboxylic Acid, PDB code: 7g1k:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human FABP4 in Complex with 4-(4-Fluorophenyl) Sulfanyl-6-Methyl-2-Phenylpyrimidine-5-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 4-(4-Fluorophenyl) Sulfanyl-6-Methyl-2-Phenylpyrimidine-5-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:15.9 occ:0.50 F24 A:WOI201 0.0 15.9 0.5 F24 A:WOI201 1.3 18.7 0.5 C22 A:WOI201 1.3 16.0 0.5 C22 A:WOI201 1.8 16.9 0.5 C18 A:WOI201 2.0 17.3 0.5 C18 A:WOI201 2.3 15.5 0.5 C19 A:WOI201 2.4 13.9 0.5 C19 A:WOI201 3.1 17.6 0.5 CD2 A:PHE57 3.1 18.4 1.0 OG A:SER55 3.1 14.1 1.0 C14 A:WOI201 3.3 15.2 0.5 CB A:PHE57 3.4 14.6 1.0 N A:LYS58 3.5 14.2 1.0 C14 A:WOI201 3.6 13.4 0.5 C15 A:WOI201 3.6 14.6 0.5 CG A:PHE57 3.7 16.0 1.0 O A:LYS58 3.8 17.8 1.0 CB A:LYS58 4.0 16.2 1.0 C15 A:WOI201 4.0 15.5 0.5 CB A:ALA75 4.1 17.2 1.0 C8 A:WOI201 4.1 11.0 0.5 C8 A:WOI201 4.1 13.9 0.5 CE2 A:PHE57 4.2 19.1 1.0 CA A:LYS58 4.2 14.4 1.0 CB A:SER55 4.2 13.0 1.0 CA A:PHE57 4.2 12.9 1.0 C A:PHE57 4.3 12.3 1.0 CB A:ALA36 4.3 13.3 1.0 C A:LYS58 4.4 15.0 1.0 CG A:LYS58 4.6 19.8 1.0 N A:PHE57 4.6 11.7 1.0 CB A:ALA33 4.6 10.8 1.0 CA A:ALA33 4.7 9.8 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 4-(4-Fluorophenyl) Sulfanyl-6-Methyl-2-Phenylpyrimidine-5-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 4-(4-Fluorophenyl) Sulfanyl-6-Methyl-2-Phenylpyrimidine-5-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:18.7 occ:0.50 F24 A:WOI201 0.0 18.7 0.5 F24 A:WOI201 1.3 15.9 0.5 C22 A:WOI201 1.3 16.9 0.5 C22 A:WOI201 1.5 16.0 0.5 C19 A:WOI201 1.7 13.9 0.5 C19 A:WOI201 2.3 17.6 0.5 C18 A:WOI201 2.3 17.3 0.5 C18 A:WOI201 2.9 15.5 0.5 C15 A:WOI201 3.1 14.6 0.5 CD2 A:PHE57 3.3 18.4 1.0 CB A:ALA36 3.3 13.3 1.0 CB A:PHE57 3.4 14.6 1.0 OG A:SER55 3.5 14.1 1.0 C15 A:WOI201 3.5 15.5 0.5 C14 A:WOI201 3.6 15.2 0.5 CA A:ALA33 3.7 9.8 1.0 CG A:PHE57 3.8 16.0 1.0 C14 A:WOI201 3.8 13.4 0.5 CB A:ALA33 3.9 10.8 1.0 O A:ALA33 3.9 10.7 1.0 C8 A:WOI201 4.0 11.0 0.5 C8 A:WOI201 4.0 13.9 0.5 C A:ALA33 4.3 9.7 1.0 CB A:SER55 4.4 13.0 1.0 N A:LYS58 4.4 14.2 1.0 CE2 A:PHE57 4.4 19.1 1.0 CA A:PHE57 4.6 12.9 1.0 N A:PHE57 4.8 11.7 1.0 O A:LYS58 4.8 17.8 1.0 CA A:ALA36 4.8 11.8 1.0 CB A:ALA75 4.8 17.2 1.0 N A:ALA33 4.9 9.2 1.0 O A:VAL32 4.9 11.0 1.0 C A:PHE57 5.0 12.3 1.0

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