Fluorine in PDB 7fw1: Crystal Structure of Human FABP4 in Complex with 2-Cyclopentyl-4-(4- Fluorophenyl)-6-[1-(Methoxymethyl)Cyclopentyl]-3-Methyl-5-(1H- Tetrazol-5-Yl)Pyridine

The structure of Crystal Structure of Human FABP4 in Complex with 2-Cyclopentyl-4-(4- Fluorophenyl)-6-[1-(Methoxymethyl)Cyclopentyl]-3-Methyl-5-(1H- Tetrazol-5-Yl)Pyridine, PDB code: 7fw1 was solved by A.Ehler, J.Benz, U.Obst, H.Kuhne, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.75 / 1.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.561, 54.055, 74.793, 90, 90, 90
R / Rfree (%)	16.6 / 21.7

The binding sites of Fluorine atom in the Crystal Structure of Human FABP4 in Complex with 2-Cyclopentyl-4-(4- Fluorophenyl)-6-[1-(Methoxymethyl)Cyclopentyl]-3-Methyl-5-(1H- Tetrazol-5-Yl)Pyridine (pdb code 7fw1). 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-Cyclopentyl-4-(4- Fluorophenyl)-6-[1-(Methoxymethyl)Cyclopentyl]-3-Methyl-5-(1H- Tetrazol-5-Yl)Pyridine, PDB code: 7fw1:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human FABP4 in Complex with 2-Cyclopentyl-4-(4- Fluorophenyl)-6-[1-(Methoxymethyl)Cyclopentyl]-3-Methyl-5-(1H- Tetrazol-5-Yl)Pyridine


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-Cyclopentyl-4-(4- Fluorophenyl)-6-[1-(Methoxymethyl)Cyclopentyl]-3-Methyl-5-(1H- Tetrazol-5-Yl)Pyridine within 5.0Å range: probe atom residue distance (Å) B Occ A:F203 b:24.4 occ:1.00 F32 A:K7C203 0.0 24.4 1.0 C29 A:K7C203 1.4 18.0 1.0 C30 A:K7C203 2.4 16.2 1.0 C28 A:K7C203 2.4 16.5 1.0 HB3 A:ALA36 2.5 19.0 1.0 H61 A:K7C203 2.5 17.7 1.0 HB3 A:PHE57 2.6 19.8 1.0 HB1 A:ALA36 2.6 17.5 1.0 H60 A:K7C203 2.7 16.8 1.0 OG A:SER55 2.7 19.9 1.0 HB2 A:SER55 2.8 17.4 1.0 CB A:ALA36 2.8 19.2 1.0 HG A:SER55 2.9 18.4 1.0 HB2 A:ALA36 2.9 18.7 1.0 CB A:SER55 3.0 18.0 1.0 HB3 A:SER55 3.1 17.2 1.0 HG3 A:PRO38 3.1 17.8 1.0 CB A:PHE57 3.4 19.6 1.0 HD2 A:PHE57 3.4 21.9 1.0 HB2 A:PHE57 3.4 19.5 1.0 H A:PHE57 3.6 16.6 1.0 C31 A:K7C203 3.7 17.1 1.0 HB3 A:PRO38 3.7 13.5 1.0 C27 A:K7C203 3.7 16.2 1.0 HD3 A:PRO38 3.8 13.9 1.0 CG A:PRO38 3.9 18.2 1.0 HA A:ALA33 4.0 15.5 1.0 CD2 A:PHE57 4.1 21.7 1.0 O A:HOH301 4.1 32.3 1.0 C07 A:K7C203 4.2 14.7 1.0 CG A:PHE57 4.2 19.8 1.0 CB A:PRO38 4.3 14.8 1.0 H A:LYS58 4.3 18.7 1.0 CA A:ALA36 4.3 17.5 1.0 N A:PHE57 4.3 17.2 1.0 CD A:PRO38 4.4 13.6 1.0 H62 A:K7C203 4.4 16.9 1.0 CA A:PHE57 4.5 17.0 1.0 O A:ALA33 4.5 15.2 1.0 H59 A:K7C203 4.5 16.5 1.0 CA A:SER55 4.5 13.3 1.0 HG2 A:PRO38 4.6 17.6 1.0 H A:ALA36 4.7 16.8 1.0 HA A:PRO38 4.7 13.4 1.0 HB1 A:ALA33 4.8 15.4 1.0 H A:THR56 4.8 14.1 1.0 HA A:ALA36 4.8 16.7 1.0 N A:LYS58 4.8 19.2 1.0 C A:ALA36 4.8 17.0 1.0 N A:PRO38 4.9 12.3 1.0 CA A:ALA33 4.9 16.3 1.0 CA A:PRO38 4.9 13.3 1.0 HA A:SER55 5.0 13.8 1.0

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