Chlorine in PDB 7fyz: Crystal Structure of Human FABP4 in Complex with 2-[2,3-Bis[(2- Chlorophenyl)Methoxy]Phenyl]-2-Methoxyacetic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 2-[2,3-Bis[(2- Chlorophenyl)Methoxy]Phenyl]-2-Methoxyacetic Acid, PDB code: 7fyz 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)	43.84 / 1.13
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.216, 53.849, 75.495, 90, 90, 90
R / Rfree (%)	13.5 / 15.5

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 2-[2,3-Bis[(2- Chlorophenyl)Methoxy]Phenyl]-2-Methoxyacetic Acid (pdb code 7fyz). 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 2-[2,3-Bis[(2- Chlorophenyl)Methoxy]Phenyl]-2-Methoxyacetic Acid, PDB code: 7fyz:
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 2-[2,3-Bis[(2- Chlorophenyl)Methoxy]Phenyl]-2-Methoxyacetic Acid


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 2-[2,3-Bis[(2- Chlorophenyl)Methoxy]Phenyl]-2-Methoxyacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:27.5 occ:1.00 CL25 A:WA9203 0.0 27.5 1.0 C15 A:WA9203 1.7 23.9 1.0 C12 A:WA9203 2.7 17.9 1.0 C16 A:WA9203 2.7 24.5 1.0 C11 A:WA9203 3.1 25.2 1.0 O A:HOH347 3.6 14.9 1.0 NH2 A:ARG126 3.6 16.8 1.0 CG A:PRO38 3.9 19.9 1.0 O A:ALA33 4.0 12.9 1.0 C20 A:WA9203 4.0 17.6 1.0 C17 A:WA9203 4.0 31.5 1.0 C19 A:WA9203 4.0 23.5 1.0 C21 A:WA9203 4.1 17.1 1.0 CB A:ALA36 4.2 14.2 1.0 CE2 A:PHE16 4.3 14.9 1.0 O9 A:WA9203 4.4 28.6 1.0 CZ A:PHE16 4.5 17.0 1.0 C18 A:WA9203 4.6 21.6 1.0 CD A:PRO38 4.6 13.9 1.0 O10 A:WA9203 4.8 21.2 1.0 CB A:ALA33 4.8 13.5 1.0 CZ A:ARG126 4.8 15.2 1.0 C A:ALA33 4.8 11.8 1.0 O A:HOH307 4.8 44.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 2-[2,3-Bis[(2- Chlorophenyl)Methoxy]Phenyl]-2-Methoxyacetic Acid


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 2-[2,3-Bis[(2- Chlorophenyl)Methoxy]Phenyl]-2-Methoxyacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:18.3 occ:1.00 CL26 A:WA9203 0.0 18.3 1.0 C24 A:WA9203 1.7 16.0 1.0 C14 A:WA9203 2.7 16.7 1.0 C23 A:WA9203 2.7 17.3 1.0 C13 A:WA9203 2.9 19.1 1.0 NH2 A:ARG78 3.6 13.2 1.0 OD1 A:ASP76 3.8 16.1 1.0 CG2 A:VAL25 3.8 13.4 1.0 CG A:MET20 3.9 10.9 1.0 CG A:ASP76 4.0 16.7 1.0 CE2 A:TYR19 4.0 10.6 1.0 C22 A:WA9203 4.0 17.6 1.0 C20 A:WA9203 4.0 17.6 1.0 OD2 A:ASP76 4.1 16.2 1.0 CG1 A:VAL23 4.1 14.4 1.0 O A:HOH377 4.3 13.5 1.0 O10 A:WA9203 4.3 21.2 1.0 CG2 A:VAL23 4.4 13.7 1.0 CB A:VAL23 4.4 12.6 1.0 CD2 A:TYR19 4.5 9.9 1.0 CZ A:ARG78 4.5 13.1 1.0 C21 A:WA9203 4.5 17.1 1.0 CA A:MET20 4.6 10.0 1.0 CB A:MET20 4.6 10.7 1.0 SD A:MET20 4.8 12.2 1.0 CB A:ASP76 4.8 17.2 1.0 NE A:ARG78 4.8 13.7 1.0 CZ A:TYR19 4.9 10.0 1.0 CZ A:PHE16 5.0 17.0 1.0

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