Chlorine in PDB 8wdx: Crystal Structure of Human FABP4 Complexed with C3

The structure of Crystal Structure of Human FABP4 Complexed with C3, PDB code: 8wdx was solved by H.Xie, G.F.Chen, Y.C.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.19 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.645, 54.889, 74.897, 90, 90, 90
R / Rfree (%)	20.1 / 22

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 Complexed with C3 (pdb code 8wdx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human FABP4 Complexed with C3, PDB code: 8wdx:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human FABP4 Complexed with C3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human FABP4 Complexed with C3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:40.2 occ:1.00 CL1 A:W6K201 0.0 40.2 1.0 C12 A:W6K201 1.7 28.2 1.0 C11 A:W6K201 2.7 30.2 1.0 C13 A:W6K201 2.7 21.2 1.0 C14 A:W6K201 3.0 24.6 1.0 C15 A:W6K201 3.4 24.4 1.0 CE2 A:PHE57 3.6 31.1 1.0 CB A:ALA33 3.7 24.1 1.0 C19 A:W6K201 3.9 28.4 1.0 C10 A:W6K201 4.0 30.4 1.0 CB A:ASP76 4.0 25.1 1.0 C8 A:W6K201 4.0 26.5 1.0 SD A:MET20 4.1 27.0 1.0 N A:ASP76 4.1 27.1 1.0 CB A:ALA75 4.1 26.6 1.0 CZ A:PHE57 4.2 31.7 1.0 C16 A:W6K201 4.4 23.0 1.0 CA A:ASP76 4.4 27.5 1.0 C A:ALA75 4.5 28.2 1.0 C9 A:W6K201 4.5 27.1 1.0 OD1 A:ASP76 4.5 28.8 1.0 CD2 A:PHE57 4.5 31.2 1.0 CG A:ASP76 4.6 28.7 1.0 CG2 A:THR29 4.7 29.2 1.0 C18 A:W6K201 4.8 28.7 1.0 CA A:ALA75 4.9 25.8 1.0 CG A:MET20 4.9 25.3 1.0 O A:ALA75 5.0 30.7 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