Chlorine in PDB 7fxy: Crystal Structure of Human FABP4 in Complex with (4-Chlorophenyl) Methyl 5-Fluoro-2,4-Dioxo-1H-Pyrimidine-6-Carboxylate

The structure of Crystal Structure of Human FABP4 in Complex with (4-Chlorophenyl) Methyl 5-Fluoro-2,4-Dioxo-1H-Pyrimidine-6-Carboxylate, PDB code: 7fxy was solved by A.Ehler, J.Benz, U.Obst, J.Kiss, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.40 / 1.13
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.535, 53.795, 74.775, 90, 90, 90
R / Rfree (%)	14.6 / 17.4

The structure of Crystal Structure of Human FABP4 in Complex with (4-Chlorophenyl) Methyl 5-Fluoro-2,4-Dioxo-1H-Pyrimidine-6-Carboxylate also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with (4-Chlorophenyl) Methyl 5-Fluoro-2,4-Dioxo-1H-Pyrimidine-6-Carboxylate (pdb code 7fxy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human FABP4 in Complex with (4-Chlorophenyl) Methyl 5-Fluoro-2,4-Dioxo-1H-Pyrimidine-6-Carboxylate, PDB code: 7fxy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human FABP4 in Complex with (4-Chlorophenyl) Methyl 5-Fluoro-2,4-Dioxo-1H-Pyrimidine-6-Carboxylate


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 in Complex with (4-Chlorophenyl) Methyl 5-Fluoro-2,4-Dioxo-1H-Pyrimidine-6-Carboxylate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:25.9 occ:0.50 CL20 A:UKN201 0.0 25.9 0.5 CL20 A:UKN201 0.1 25.6 0.5 C19 A:UKN201 1.7 21.1 0.5 C19 A:UKN201 1.8 20.8 0.5 C18 A:UKN201 2.7 22.8 0.5 H28 A:UKN201 2.7 19.9 0.5 HB3 A:ASP76 2.7 17.1 1.0 C17 A:UKN201 2.8 21.2 0.5 C17 A:UKN201 2.8 21.0 0.5 H27 A:UKN201 2.8 19.0 0.5 C18 A:UKN201 2.8 20.9 0.5 H27 A:UKN201 2.9 20.7 0.5 H28 A:UKN201 3.0 21.0 0.5 HB1 A:ALA33 3.5 11.9 1.0 HE2 A:PHE57 3.5 20.1 1.0 HB3 A:ALA75 3.6 16.4 1.0 HB2 A:ALA33 3.6 12.6 1.0 CB A:ASP76 3.7 14.9 1.0 HG22 A:THR29 3.7 14.6 1.0 HG21 A:VAL25 3.8 11.8 1.0 H A:ASP76 3.9 15.0 1.0 CB A:ALA33 3.9 12.3 1.0 HG11 A:VAL25 3.9 11.8 1.0 HB3 A:ALA33 3.9 12.4 1.0 C16 A:UKN201 4.0 24.4 0.5 SD A:MET20 4.0 11.9 1.0 N A:ASP76 4.0 15.0 1.0 C15 A:UKN201 4.1 22.9 0.5 C15 A:UKN201 4.1 21.6 0.5 C16 A:UKN201 4.1 22.3 0.5 OD1 A:ASP76 4.1 14.7 1.0 CG A:ASP76 4.1 15.2 1.0 CE2 A:PHE57 4.2 21.7 1.0 HG2 A:MET20 4.2 10.5 1.0 HZ A:PHE57 4.2 18.8 1.0 HB2 A:ASP76 4.3 15.8 1.0 CA A:ASP76 4.3 16.1 1.0 HA A:ASP76 4.3 15.4 1.0 HG21 A:THR29 4.4 13.8 1.0 CB A:ALA75 4.4 15.9 1.0 CG2 A:THR29 4.4 14.1 1.0 HB1 A:ALA75 4.4 14.2 1.0 C14 A:UKN201 4.5 21.6 0.5 C A:ALA75 4.5 13.8 1.0 HG23 A:THR29 4.5 13.7 1.0 HZ A:PHE16 4.6 16.1 1.0 CZ A:PHE57 4.6 21.4 1.0 C14 A:UKN201 4.6 20.8 0.5 CG2 A:VAL25 4.7 12.0 1.0 CG1 A:VAL25 4.7 11.5 1.0 HG13 A:VAL25 4.7 11.6 1.0 H26 A:UKN201 4.7 22.8 0.5 CG A:MET20 4.7 10.6 1.0 HG22 A:VAL25 4.8 12.7 1.0 H25 A:UKN201 4.8 20.7 0.5 H25 A:UKN201 4.9 23.0 0.5 H26 A:UKN201 4.9 21.9 0.5 CA A:ALA75 5.0 14.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with (4-Chlorophenyl) Methyl 5-Fluoro-2,4-Dioxo-1H-Pyrimidine-6-Carboxylate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human FABP4 in Complex with (4-Chlorophenyl) Methyl 5-Fluoro-2,4-Dioxo-1H-Pyrimidine-6-Carboxylate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:25.6 occ:0.50 CL20 A:UKN201 0.0 25.6 0.5 CL20 A:UKN201 0.1 25.9 0.5 C19 A:UKN201 1.7 21.1 0.5 C19 A:UKN201 1.8 20.8 0.5 C18 A:UKN201 2.6 22.8 0.5 H28 A:UKN201 2.6 19.9 0.5 C17 A:UKN201 2.7 21.2 0.5 HB3 A:ASP76 2.7 17.1 1.0 C18 A:UKN201 2.8 20.9 0.5 C17 A:UKN201 2.8 21.0 0.5 H27 A:UKN201 2.8 19.0 0.5 H28 A:UKN201 2.9 21.0 0.5 H27 A:UKN201 2.9 20.7 0.5 HE2 A:PHE57 3.5 20.1 1.0 HB3 A:ALA75 3.5 16.4 1.0 HB1 A:ALA33 3.5 11.9 1.0 HB2 A:ALA33 3.6 12.6 1.0 CB A:ASP76 3.7 14.9 1.0 H A:ASP76 3.8 15.0 1.0 HG22 A:THR29 3.8 14.6 1.0 HG21 A:VAL25 3.8 11.8 1.0 C16 A:UKN201 3.9 24.4 0.5 CB A:ALA33 3.9 12.3 1.0 HG11 A:VAL25 4.0 11.8 1.0 N A:ASP76 4.0 15.0 1.0 HB3 A:ALA33 4.0 12.4 1.0 C15 A:UKN201 4.0 22.9 0.5 C16 A:UKN201 4.1 22.3 0.5 SD A:MET20 4.1 11.9 1.0 C15 A:UKN201 4.1 21.6 0.5 OD1 A:ASP76 4.1 14.7 1.0 CG A:ASP76 4.1 15.2 1.0 CE2 A:PHE57 4.2 21.7 1.0 HZ A:PHE57 4.2 18.8 1.0 CA A:ASP76 4.3 16.1 1.0 HG2 A:MET20 4.3 10.5 1.0 CB A:ALA75 4.3 15.9 1.0 HB2 A:ASP76 4.3 15.8 1.0 HA A:ASP76 4.3 15.4 1.0 HB1 A:ALA75 4.4 14.2 1.0 HG21 A:THR29 4.4 13.8 1.0 C A:ALA75 4.4 13.8 1.0 C14 A:UKN201 4.5 21.6 0.5 CG2 A:THR29 4.5 14.1 1.0 C14 A:UKN201 4.6 20.8 0.5 HZ A:PHE16 4.6 16.1 1.0 HG23 A:THR29 4.6 13.7 1.0 CZ A:PHE57 4.6 21.4 1.0 H26 A:UKN201 4.6 22.8 0.5 CG2 A:VAL25 4.7 12.0 1.0 HG13 A:VAL25 4.8 11.6 1.0 CG1 A:VAL25 4.8 11.5 1.0 H26 A:UKN201 4.8 21.9 0.5 H25 A:UKN201 4.8 20.7 0.5 CG A:MET20 4.8 10.6 1.0 H25 A:UKN201 4.8 23.0 0.5 HG22 A:VAL25 4.9 12.7 1.0 CA A:ALA75 4.9 14.1 1.0 O A:ALA75 4.9 17.7 1.0

U.Obst, C.Magnone, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human FABP4 Complex To Be Published.