Chlorine in PDB 7fzm: Crystal Structure of Human FABP4 in Complex with N-(2,4- Dichlorophenyl)-2-(2,6-Dihydroxypyrimidin-4-Yl)Acetamide

The structure of Crystal Structure of Human FABP4 in Complex with N-(2,4- Dichlorophenyl)-2-(2,6-Dihydroxypyrimidin-4-Yl)Acetamide, PDB code: 7fzm was solved by A.Ehler, J.Benz, U.Obst, U.Obst-Sander, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.71 / 1.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.755, 53.847, 74.779, 90, 90, 90
R / Rfree (%)	16 / 18.6

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with N-(2,4- Dichlorophenyl)-2-(2,6-Dihydroxypyrimidin-4-Yl)Acetamide (pdb code 7fzm). 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 N-(2,4- Dichlorophenyl)-2-(2,6-Dihydroxypyrimidin-4-Yl)Acetamide, PDB code: 7fzm:
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 N-(2,4- Dichlorophenyl)-2-(2,6-Dihydroxypyrimidin-4-Yl)Acetamide


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 N-(2,4- Dichlorophenyl)-2-(2,6-Dihydroxypyrimidin-4-Yl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:28.6 occ:1.00 CL19 A:WGW203 0.0 28.6 1.0 C16 A:WGW203 1.7 25.8 1.0 C15 A:WGW203 2.7 20.2 1.0 C17 A:WGW203 2.7 33.4 1.0 CG2 A:THR29 3.4 13.5 1.0 CB A:ASP76 3.4 15.3 1.0 CE2 A:PHE57 3.5 21.2 1.0 CB A:ALA33 3.5 12.0 1.0 N A:ASP76 3.7 16.2 1.0 CZ A:PHE57 3.7 20.8 1.0 CA A:ASP76 3.8 15.3 1.0 C14 A:WGW203 3.9 19.1 1.0 C18 A:WGW203 4.0 33.0 1.0 C A:ALA75 4.0 15.1 1.0 CB A:ALA75 4.2 16.9 1.0 O A:ALA75 4.3 19.5 1.0 CG A:ASP76 4.3 14.3 1.0 OD1 A:ASP76 4.5 14.1 1.0 C13 A:WGW203 4.5 22.9 1.0 SD A:MET20 4.5 10.8 1.0 CG1 A:VAL25 4.5 11.9 1.0 CD2 A:PHE57 4.7 18.3 1.0 O A:THR29 4.8 10.6 1.0 CA A:ALA75 4.8 15.2 1.0 CB A:THR29 4.9 11.5 1.0 CE1 A:PHE57 4.9 22.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with N-(2,4- Dichlorophenyl)-2-(2,6-Dihydroxypyrimidin-4-Yl)Acetamide


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 N-(2,4- Dichlorophenyl)-2-(2,6-Dihydroxypyrimidin-4-Yl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:24.8 occ:1.00 CL20 A:WGW203 0.0 24.8 1.0 C14 A:WGW203 1.7 19.1 1.0 C15 A:WGW203 2.6 20.2 1.0 C13 A:WGW203 2.7 22.9 1.0 N12 A:WGW203 2.9 22.2 1.0 NH2 A:ARG78 3.5 13.3 1.0 CE2 A:TYR19 3.6 9.4 1.0 O A:HOH376 3.6 17.8 1.0 C16 A:WGW203 3.9 25.8 1.0 C18 A:WGW203 4.0 33.0 1.0 CG A:MET20 4.1 9.2 1.0 OD1 A:ASP76 4.2 14.1 1.0 C10 A:WGW203 4.2 22.6 1.0 CG2 A:VAL25 4.3 11.7 1.0 CD2 A:TYR19 4.3 9.3 1.0 CG1 A:VAL23 4.3 13.3 1.0 C17 A:WGW203 4.4 33.4 1.0 CZ A:TYR19 4.5 9.0 1.0 CG2 A:VAL23 4.5 12.0 1.0 OH A:TYR19 4.5 10.2 1.0 CG A:ASP76 4.5 14.3 1.0 CZ A:ARG78 4.6 13.5 1.0 CB A:VAL23 4.6 11.5 1.0 OD2 A:ASP76 4.7 15.7 1.0 CA A:MET20 4.9 8.8 1.0 SD A:MET20 4.9 10.8 1.0 CE1 A:PHE16 4.9 12.8 1.0 C9 A:WGW203 4.9 19.6 1.0 CZ A:PHE16 4.9 13.1 1.0 CB A:MET20 4.9 8.7 1.0

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