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Fluorine in PDB 7fyf: Crystal Structure of Human FABP4 in Complex with 4-(4-Fluorophenyl)-2- Piperidin-1-Yl-3-(1H-Tetrazol-5-Yl)-7,8-Dihydro-5H-Pyrano[4,3- B]Pyridine

Protein crystallography data

The structure of Crystal Structure of Human FABP4 in Complex with 4-(4-Fluorophenyl)-2- Piperidin-1-Yl-3-(1H-Tetrazol-5-Yl)-7,8-Dihydro-5H-Pyrano[4,3- B]Pyridine, PDB code: 7fyf was solved by A.Ehler, J.Benz, U.Obst, U.Obst-Sander, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.63 / 1.02
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 32.397, 54.227, 75.273, 90, 90, 90
R / Rfree (%) 13.8 / 16.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human FABP4 in Complex with 4-(4-Fluorophenyl)-2- Piperidin-1-Yl-3-(1H-Tetrazol-5-Yl)-7,8-Dihydro-5H-Pyrano[4,3- B]Pyridine (pdb code 7fyf). 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 4-(4-Fluorophenyl)-2- Piperidin-1-Yl-3-(1H-Tetrazol-5-Yl)-7,8-Dihydro-5H-Pyrano[4,3- B]Pyridine, PDB code: 7fyf:

Fluorine binding site 1 out of 1 in 7fyf

Go back to Fluorine Binding Sites List in 7fyf
Fluorine binding site 1 out of 1 in the Crystal Structure of Human FABP4 in Complex with 4-(4-Fluorophenyl)-2- Piperidin-1-Yl-3-(1H-Tetrazol-5-Yl)-7,8-Dihydro-5H-Pyrano[4,3- B]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 4-(4-Fluorophenyl)-2- Piperidin-1-Yl-3-(1H-Tetrazol-5-Yl)-7,8-Dihydro-5H-Pyrano[4,3- B]Pyridine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:12.7
occ:1.00
F07 A:VS5201 0.0 12.7 1.0
C04 A:VS5201 1.3 10.7 1.0
C03 A:VS5201 2.3 10.4 1.0
C05 A:VS5201 2.3 11.9 1.0
HB3 A:PHE57 2.5 13.9 1.0
H31 A:VS5201 2.6 12.0 1.0
H30 A:VS5201 2.6 10.5 1.0
HB3 A:ALA36 2.7 10.6 1.0
HB2 A:ALA36 2.8 10.6 1.0
HB1 A:ALA36 3.0 10.7 1.0
CB A:ALA36 3.0 10.7 1.0
HB2 A:SER55 3.0 12.3 1.0
OG A:SER55 3.0 12.9 1.0
HG3 A:PRO38 3.1 9.6 1.0
HB2 A:PHE57 3.1 14.2 1.0
CB A:PHE57 3.2 13.8 1.0
HG A:SER55 3.3 12.9 1.0
HD2 A:PHE57 3.4 15.9 1.0
CB A:SER55 3.4 12.3 1.0
H A:PHE57 3.5 10.6 1.0
HB3 A:SER55 3.5 11.6 1.0
C02 A:VS5201 3.6 9.7 1.0
HA A:ALA33 3.6 9.9 1.0
C06 A:VS5201 3.6 11.2 1.0
CG A:PRO38 3.9 9.7 1.0
HG2 A:PRO38 4.0 9.7 1.0
CD2 A:PHE57 4.0 17.3 1.0
CG A:PHE57 4.0 14.1 1.0
C01 A:VS5201 4.1 9.3 1.0
H A:LYS58 4.2 13.6 1.0
N A:PHE57 4.2 10.3 1.0
O A:ALA33 4.3 11.2 1.0
H29 A:VS5201 4.4 9.9 1.0
CA A:PHE57 4.4 11.5 1.0
HB1 A:ALA33 4.4 11.1 1.0
H32 A:VS5201 4.4 10.9 1.0
CA A:ALA36 4.5 10.2 1.0
CA A:ALA33 4.5 9.8 1.0
H A:ALA36 4.6 9.8 1.0
O A:HOH307 4.6 19.5 1.0
HD3 A:PRO38 4.6 9.7 1.0
HB3 A:PRO38 4.7 9.7 1.0
H A:THR56 4.8 10.8 1.0
N A:LYS58 4.8 16.7 1.0
CA A:SER55 4.8 10.7 1.0
CB A:ALA33 4.9 11.5 1.0
CD A:PRO38 4.9 9.4 1.0
C A:ALA33 4.9 10.6 1.0
CB A:PRO38 4.9 9.6 1.0
HB2 A:ALA33 4.9 11.3 1.0
HA A:ALA36 5.0 10.1 1.0

Reference:

U.Obst, C.Magnone, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human FABP4 Complex To Be Published.
Page generated: Tue Jul 15 19:45:53 2025

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