Fluorine in PDB 5y0f: Crystal Structure of Human FABP4 Complexed with Ligand 2-Fluoro-5-((4- Methoxynaphthalene)-1-Sulfonamido) Benzoic Acid

The structure of Crystal Structure of Human FABP4 Complexed with Ligand 2-Fluoro-5-((4- Methoxynaphthalene)-1-Sulfonamido) Benzoic Acid, PDB code: 5y0f was solved by H.X.Su, Q.F.Liu, Y.C.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.70 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.370, 53.690, 75.250, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 18.2

The binding sites of Fluorine atom in the Crystal Structure of Human FABP4 Complexed with Ligand 2-Fluoro-5-((4- Methoxynaphthalene)-1-Sulfonamido) Benzoic Acid (pdb code 5y0f). 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 Complexed with Ligand 2-Fluoro-5-((4- Methoxynaphthalene)-1-Sulfonamido) Benzoic Acid, PDB code: 5y0f:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human FABP4 Complexed with Ligand 2-Fluoro-5-((4- Methoxynaphthalene)-1-Sulfonamido) Benzoic 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 Complexed with Ligand 2-Fluoro-5-((4- Methoxynaphthalene)-1-Sulfonamido) Benzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:17.9 occ:1.00 F1 A:8JO200 0.0 17.9 1.0 C15 A:8JO200 1.4 15.4 1.0 C16 A:8JO200 2.3 16.8 1.0 C14 A:8JO200 2.4 15.4 1.0 O4 A:8JO200 2.7 16.9 1.0 C18 A:8JO200 2.8 17.2 1.0 NE A:ARG126 3.0 15.9 1.0 CD A:ARG126 3.1 14.6 1.0 CG1 A:VAL115 3.1 14.5 1.0 CB A:VAL115 3.5 12.3 1.0 CB A:ARG126 3.5 12.9 1.0 C17 A:8JO200 3.6 16.5 1.0 C13 A:8JO200 3.6 15.8 1.0 CG A:ARG126 3.9 12.8 1.0 O5 A:8JO200 4.0 18.3 1.0 C12 A:8JO200 4.1 14.6 1.0 CG2 A:VAL115 4.2 15.9 1.0 CZ A:ARG126 4.3 17.4 1.0 O A:VAL115 4.6 16.2 1.0 CE1 A:PHE16 4.7 15.0 1.0 CA A:VAL115 4.8 12.2 1.0 NH2 A:ARG126 4.8 17.6 1.0 C A:VAL115 4.8 14.8 1.0 CA A:ARG126 4.8 11.9 1.0 CE1 A:TYR128 4.9 13.1 1.0 N A:ARG126 4.9 13.1 1.0

D.D.Gao, H.X.Dou, H.X.Su, M.M.Zhang, T.Wang, Q.F.Liu, H.Y.Cai, H.P.Ding, Z.Yang, W.L.Zhu, Y.C.Xu, H.Y.Wang, Y.X.Li. From Hit to Lead: Structure-Based Discovery of Naphthalene-1-Sulfonamide Derivatives As Potent and Selective Inhibitors of Fatty Acid Binding Protein 4 Eur J Med Chem V. 154 44 2018.
ISSN: ISSN 1768-3254
PubMed: 29775936
DOI: 10.1016/J.EJMECH.2018.05.007