Fluorine in PDB 8we3: Crystal Structure of Human FABP4 Complexed with C7

The structure of Crystal Structure of Human FABP4 Complexed with C7, PDB code: 8we3 was solved by H.Xie, G.F.Chen, Y.C.Xu, M.J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.83 / 1.82
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.437, 54.171, 75.492, 90, 90, 90
R / Rfree (%)	19.8 / 22.8

The structure of Crystal Structure of Human FABP4 Complexed with C7 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Human FABP4 Complexed with C7 (pdb code 8we3). 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 C7, PDB code: 8we3:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human FABP4 Complexed with C7


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 C7 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:20.9 occ:1.00 F1 A:W6B201 0.0 20.9 1.0 C3 A:W6B201 1.4 17.9 1.0 C2 A:W6B201 2.3 17.8 1.0 C4 A:W6B201 2.3 19.5 1.0 NH2 A:ARG106 2.8 25.8 1.0 CZ A:ARG106 3.0 21.2 1.0 CG1 A:VAL115 3.3 13.1 1.0 CG2 A:ILE104 3.3 13.6 1.0 NE A:ARG106 3.4 22.2 1.0 C5 A:W6B201 3.6 17.1 1.0 C1 A:W6B201 3.6 14.8 1.0 NH1 A:ARG106 3.7 20.6 1.0 O A:HOH381 3.9 25.4 1.0 CG2 A:VAL115 4.0 13.8 1.0 O A:HOH302 4.0 29.3 1.0 CE A:MET40 4.1 20.2 1.0 C6 A:W6B201 4.1 15.6 1.0 CB A:VAL115 4.2 11.2 1.0 CG A:ARG106 4.2 14.2 1.0 CD A:ARG106 4.4 17.2 1.0 CB A:ILE104 4.7 11.8 1.0 O A:HOH377 4.8 33.0 1.0 C7 A:W6B201 4.8 14.7 1.0 O1 A:W6B201 4.9 13.1 1.0

G.Chen, H.Xie, M.You, J.Liu, Q.Shao, M.Li, H.Su, Y.Xu. Structure-Based Design of Potent FABP4 Inhibitors with High Selectivity Against FABP3. Eur.J.Med.Chem. V. 264 15984 2023.
ISSN: ISSN 0223-5234
PubMed: 38043490
DOI: 10.1016/J.EJMECH.2023.115984