Fluorine in PDB 7euv: X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing Flurbiprofen

The structure of X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing Flurbiprofen, PDB code: 7euv was solved by S.Sugiyama, K.Kakinouchi, M.Hoshina, S.Matsuoka, H.Tsuchikawa, M.Sonoyama, Y.Inoue, F.Hayashi, M.Murata, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.63 / 1.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.23, 69.572, 34.017, 90, 90, 90
R / Rfree (%)	14.4 / 18.9

The binding sites of Fluorine atom in the X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing Flurbiprofen (pdb code 7euv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing Flurbiprofen, PDB code: 7euv:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing Flurbiprofen


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing Flurbiprofen within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:18.5 occ:0.65 F A:FLR200 0.0 18.5 0.7 C11 A:FLR200 1.3 13.2 0.7 C10 A:FLR200 2.3 13.8 0.7 C6 A:FLR200 2.3 16.0 0.7 C2 A:FLR200 2.8 19.9 0.7 C3 A:FLR200 2.9 18.5 0.7 CD2 A:LEU117 3.1 8.7 0.5 CE1 A:PHE16 3.5 10.8 1.0 C9 A:FLR200 3.5 14.7 0.7 CE2 A:TYR19 3.6 10.5 1.0 C7 A:FLR200 3.6 16.1 0.7 CD1 A:LEU117 3.6 13.2 0.5 CZ A:PHE16 4.0 13.1 1.0 C1 A:FLR200 4.0 19.0 0.7 C8 A:FLR200 4.0 14.0 0.7 CD2 A:TYR19 4.1 10.9 1.0 C4 A:FLR200 4.2 20.4 0.7 CD2 A:LEU117 4.2 14.6 0.5 O A:HOH443 4.4 15.1 0.6 O A:HOH366 4.5 26.6 1.0 CZ A:TYR19 4.5 9.9 1.0 CG A:LEU117 4.5 11.2 0.5 CG A:LEU117 4.6 8.8 0.5 OH A:TYR19 4.6 12.1 1.0 CD1 A:PHE16 4.7 10.4 1.0 O1 A:FLR200 4.7 16.8 0.3 C12 A:FLR200 4.8 16.0 0.7 CD2 A:LEU104 4.8 20.7 1.0 C A:FLR200 5.0 19.5 0.7

Fluorine binding site 2 out of 2 in the X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing Flurbiprofen


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing Flurbiprofen within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:39.0 occ:0.80 F A:FLR201 0.0 39.0 0.8 C11 A:FLR201 1.3 28.4 0.8 C6 A:FLR201 2.3 26.9 0.8 C10 A:FLR201 2.3 22.5 0.8 C1 A:FLR201 2.7 30.5 0.8 C2 A:FLR201 2.8 28.3 0.8 C7 A:FLR201 3.6 32.1 0.8 C9 A:FLR201 3.6 27.5 0.8 SD A:MET20 3.6 13.2 1.0 CB A:ALA33 3.8 17.4 1.0 CG2 A:THR29 3.9 19.4 1.0 C A:FLR201 3.9 30.1 0.8 C3 A:FLR201 4.0 34.4 0.8 C8 A:FLR201 4.0 28.2 0.8 C3 A:FLR200 4.1 18.5 0.7 C4 A:FLR200 4.1 20.4 0.7 C2 A:FLR200 4.4 19.9 0.7 CE2 A:PHE57 4.5 32.0 1.0 CG A:MET20 4.5 11.6 1.0 CG1 A:VAL25 4.6 13.6 1.0 C5 A:FLR200 4.6 21.7 0.7 C5 A:FLR201 4.9 33.1 0.8 C1 A:FLR200 4.9 19.0 0.7 C12 A:FLR201 4.9 25.2 0.8 C4 A:FLR201 4.9 32.9 0.8 O A:THR29 4.9 14.9 1.0 C A:FLR200 4.9 19.5 0.7 CZ A:PHE16 5.0 13.1 1.0

S.Sugiyama, K.Kakinouchi, S.Matsuoka, H.Tsuchikawa, M.Sonoyama, Y.Inoue, F.Hayashi, M.Murata. X-Ray Structure of the Human Heart Fatty Acid-Binding Protein Complexed with Flurbiprofen To Be Published.