Chlorine in PDB 7fzs: Crystal Structure of Human FABP4 in Complex with 6-Chloro-4-[(2- Chlorophenyl)Methyl]-2-Methylquinoline-3-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 6-Chloro-4-[(2- Chlorophenyl)Methyl]-2-Methylquinoline-3-Carboxylic Acid, PDB code: 7fzs was solved by A.Ehler, J.Benz, U.Obst, A.Conte, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.79 / 1.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.655, 53.997, 74.847, 90, 90, 90
R / Rfree (%)	15.1 / 18.2

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 6-Chloro-4-[(2- Chlorophenyl)Methyl]-2-Methylquinoline-3-Carboxylic Acid (pdb code 7fzs). 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 6-Chloro-4-[(2- Chlorophenyl)Methyl]-2-Methylquinoline-3-Carboxylic Acid, PDB code: 7fzs:
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 6-Chloro-4-[(2- Chlorophenyl)Methyl]-2-Methylquinoline-3-Carboxylic 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 6-Chloro-4-[(2- Chlorophenyl)Methyl]-2-Methylquinoline-3-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:12.8 occ:1.00 CL5 A:WHR201 0.0 12.8 1.0 C1 A:WHR201 1.7 11.7 1.0 C4 A:WHR201 2.7 11.1 1.0 C2 A:WHR201 2.7 12.2 1.0 CB A:ALA33 3.6 12.1 1.0 N A:ASP76 3.8 13.0 1.0 CB A:ASP76 3.8 13.2 1.0 CB A:ALA75 3.9 15.0 1.0 C3 A:WHR201 4.0 13.3 1.0 C6 A:WHR201 4.1 10.1 1.0 C A:ALA75 4.1 13.4 1.0 CE2 A:PHE57 4.1 18.7 1.0 SD A:MET20 4.1 11.5 1.0 CA A:ASP76 4.2 13.9 1.0 CG2 A:THR29 4.3 13.1 1.0 OD1 A:ASP76 4.3 12.1 1.0 CG A:ASP76 4.4 11.8 1.0 CA A:ALA75 4.5 14.1 1.0 C7 A:WHR201 4.6 11.6 1.0 O A:ALA75 4.6 16.2 1.0 CD2 A:PHE57 4.8 16.7 1.0 CZ A:PHE57 4.9 19.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 6-Chloro-4-[(2- Chlorophenyl)Methyl]-2-Methylquinoline-3-Carboxylic 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 6-Chloro-4-[(2- Chlorophenyl)Methyl]-2-Methylquinoline-3-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:16.9 occ:1.00 CL23 A:WHR201 0.0 16.9 1.0 C18 A:WHR201 1.7 12.3 1.0 C19 A:WHR201 2.7 14.2 1.0 C17 A:WHR201 2.7 10.8 1.0 C12 A:WHR201 3.1 12.1 1.0 O A:ALA33 3.6 11.7 1.0 CB A:ALA36 3.6 13.0 1.0 O A:HOH347 3.9 14.8 1.0 C20 A:WHR201 4.0 14.3 1.0 C22 A:WHR201 4.0 12.1 1.0 C4 A:WHR201 4.0 11.1 1.0 CD2 A:PHE57 4.1 16.7 1.0 CB A:ALA33 4.1 12.1 1.0 CG A:PRO38 4.1 17.4 1.0 CA A:ALA33 4.1 10.7 1.0 C A:ALA33 4.3 10.8 1.0 C11 A:WHR201 4.4 10.8 1.0 OG A:SER55 4.4 13.5 1.0 C21 A:WHR201 4.5 13.4 1.0 CB A:PHE57 4.6 14.3 1.0 C6 A:WHR201 4.7 10.1 1.0 CD A:PRO38 4.7 12.0 1.0 CG A:PHE57 4.8 14.4 1.0 CA A:ALA36 4.9 11.2 1.0 CE2 A:PHE57 4.9 18.7 1.0 CB A:SER55 4.9 12.8 1.0

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