Chlorine in PDB 7fwq: Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP3 in Complex with 6-Chloro-4-(2-Chlorophenoxy)-2-Methylquinoline-3- Carboxylic Acid

The structure of Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP3 in Complex with 6-Chloro-4-(2-Chlorophenoxy)-2-Methylquinoline-3- Carboxylic Acid, PDB code: 7fwq 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)	44.67 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.39, 55.866, 74.385, 90, 90, 90
R / Rfree (%)	15.8 / 18.5

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP3 in Complex with 6-Chloro-4-(2-Chlorophenoxy)-2-Methylquinoline-3- Carboxylic Acid (pdb code 7fwq). 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 Binding Site Mutated to That of FABP3 in Complex with 6-Chloro-4-(2-Chlorophenoxy)-2-Methylquinoline-3- Carboxylic Acid, PDB code: 7fwq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP3 in Complex with 6-Chloro-4-(2-Chlorophenoxy)-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 Binding Site Mutated to That of FABP3 in Complex with 6-Chloro-4-(2-Chlorophenoxy)-2-Methylquinoline-3- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:17.6 occ:1.00 CL5 A:P5Z201 0.0 17.6 1.0 C1 A:P5Z201 1.7 16.6 1.0 C4 A:P5Z201 2.7 14.5 1.0 C2 A:P5Z201 2.7 17.1 1.0 CB A:ALA33 3.8 11.6 1.0 SD A:MET20 3.8 11.4 1.0 CB A:ASP76 3.9 12.6 1.0 C3 A:P5Z201 4.0 15.4 1.0 C6 A:P5Z201 4.0 14.0 1.0 N A:ASP76 4.2 11.8 1.0 CB A:ALA75 4.2 13.8 1.0 CA A:ASP76 4.4 12.5 1.0 C A:ALA75 4.5 12.0 1.0 CG A:MET20 4.5 9.8 1.0 CG2 A:THR29 4.5 15.1 1.0 CG A:ASP76 4.5 11.9 1.0 C7 A:P5Z201 4.5 14.9 1.0 OD1 A:ASP76 4.6 11.7 1.0 CZ A:PHE16 4.8 12.1 1.0 CG2 A:VAL25 4.8 11.3 1.0 O A:ALA75 4.8 15.3 1.0 CG1 A:VAL25 4.9 11.7 1.0 CA A:ALA75 5.0 12.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP3 in Complex with 6-Chloro-4-(2-Chlorophenoxy)-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 Binding Site Mutated to That of FABP3 in Complex with 6-Chloro-4-(2-Chlorophenoxy)-2-Methylquinoline-3- Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:13.6 occ:1.00 CL23 A:P5Z201 0.0 13.6 1.0 C18 A:P5Z201 1.7 14.0 1.0 C19 A:P5Z201 2.7 15.5 1.0 C17 A:P5Z201 2.7 14.1 1.0 O12 A:P5Z201 2.9 13.6 1.0 O A:ALA33 3.4 11.4 1.0 O A:HOH340 3.6 13.2 1.0 NH2 A:ARG126 3.7 10.7 0.5 CG A:PRO38 3.7 12.9 1.0 NH2 A:ARG126 3.8 13.0 0.5 CB A:ALA36 3.9 11.9 1.0 CE1 A:PHE57 4.0 16.7 1.0 C20 A:P5Z201 4.0 14.2 1.0 C4 A:P5Z201 4.0 14.5 1.0 C22 A:P5Z201 4.0 13.8 1.0 CB A:ALA33 4.1 11.6 1.0 CA A:ALA33 4.1 11.0 1.0 C A:ALA33 4.1 10.5 1.0 C11 A:P5Z201 4.1 13.8 1.0 CZ A:PHE57 4.2 17.5 1.0 CZ A:PHE16 4.2 12.1 1.0 CE2 A:PHE16 4.4 11.9 1.0 CD A:PRO38 4.4 12.2 1.0 C21 A:P5Z201 4.5 13.2 1.0 C6 A:P5Z201 4.6 14.0 1.0 CZ A:ARG126 4.8 12.1 0.5 CZ A:ARG126 4.9 10.7 0.5 CB A:PRO38 5.0 11.9 1.0 CA A:ALA36 5.0 11.1 1.0

U.Obst, C.Magnone, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human FABP4 Binding Site Mutated to That of FABP3 Complex To Be Published.