Chlorine in PDB 7fyl: Crystal Structure of Human FABP4 in Complex with 6-(4-Chlorophenyl) Sulfanyl-2-(4-Methylphenyl)Sulfanylhexanoic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 6-(4-Chlorophenyl) Sulfanyl-2-(4-Methylphenyl)Sulfanylhexanoic Acid, PDB code: 7fyl was solved by A.Ehler, J.Benz, U.Obst, M.Boehringer, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.64 / 1.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.616, 53.956, 75.287, 90, 90, 90
R / Rfree (%)	14.7 / 17

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 6-(4-Chlorophenyl) Sulfanyl-2-(4-Methylphenyl)Sulfanylhexanoic Acid (pdb code 7fyl). 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-(4-Chlorophenyl) Sulfanyl-2-(4-Methylphenyl)Sulfanylhexanoic Acid, PDB code: 7fyl:
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-(4-Chlorophenyl) Sulfanyl-2-(4-Methylphenyl)Sulfanylhexanoic 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-(4-Chlorophenyl) Sulfanyl-2-(4-Methylphenyl)Sulfanylhexanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.1 occ:0.50 CL24 A:W8H201 0.0 20.1 0.5 C23 A:W8H201 1.7 17.7 0.5 C21 A:W8H201 1.8 18.2 0.5 CL24 A:W8H201 1.9 28.3 0.5 C23 A:W8H201 2.1 22.3 0.5 C21 A:W8H201 2.7 16.4 0.5 C22 A:W8H201 2.7 14.9 0.5 SD A:MET20 3.0 17.2 1.0 C19 A:W8H201 3.1 21.1 0.5 C22 A:W8H201 3.4 22.9 0.5 CB A:ALA33 3.6 14.1 1.0 CG A:MET20 3.7 13.4 1.0 C20 A:W8H201 4.0 16.8 0.5 C19 A:W8H201 4.0 14.5 0.5 CB A:ASP76 4.0 18.1 1.0 C18 A:W8H201 4.1 18.4 0.5 CZ A:PHE16 4.1 18.1 1.0 CE2 A:PHE16 4.2 17.6 1.0 C20 A:W8H201 4.2 20.4 0.5 CG2 A:VAL25 4.4 13.4 1.0 C18 A:W8H201 4.5 16.3 0.5 CG1 A:VAL25 4.5 12.8 1.0 CG2 A:THR29 4.6 14.8 1.0 C4 A:W8H201 4.6 16.1 0.5 CG A:ASP76 4.7 16.1 1.0 CE A:MET20 4.7 20.2 1.0 C7 A:W8H201 4.8 18.3 0.5 CB A:MET20 4.9 11.4 1.0 CA A:ASP76 4.9 19.4 1.0 OD1 A:ASP76 4.9 15.3 1.0 C7 A:W8H201 5.0 11.0 0.5 N A:ASP76 5.0 16.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 6-(4-Chlorophenyl) Sulfanyl-2-(4-Methylphenyl)Sulfanylhexanoic 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-(4-Chlorophenyl) Sulfanyl-2-(4-Methylphenyl)Sulfanylhexanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:28.3 occ:0.50 CL24 A:W8H201 0.0 28.3 0.5 C23 A:W8H201 1.7 22.3 0.5 CL24 A:W8H201 1.9 20.1 0.5 C22 A:W8H201 2.2 14.9 0.5 C23 A:W8H201 2.3 17.7 0.5 C21 A:W8H201 2.7 18.2 0.5 C22 A:W8H201 2.7 22.9 0.5 CB A:ALA33 3.4 14.1 1.0 C20 A:W8H201 3.5 16.8 0.5 C21 A:W8H201 3.6 16.4 0.5 N A:ASP76 3.8 16.8 1.0 CB A:ASP76 3.9 18.1 1.0 CB A:ALA75 3.9 19.6 1.0 C7 A:W8H201 4.0 18.3 0.5 C19 A:W8H201 4.0 21.1 0.5 C20 A:W8H201 4.0 20.4 0.5 C A:ALA75 4.1 17.5 1.0 CA A:ASP76 4.1 19.4 1.0 C10 A:W8H201 4.2 10.2 0.5 CE2 A:PHE57 4.2 19.9 1.0 C4 A:W8H201 4.2 16.1 0.5 C14 A:W8H201 4.2 12.6 0.5 C7 A:W8H201 4.3 11.0 0.5 C10 A:W8H201 4.4 17.8 0.5 O A:ALA75 4.5 21.6 1.0 CG2 A:THR29 4.5 14.8 1.0 C18 A:W8H201 4.5 18.4 0.5 C18 A:W8H201 4.5 16.3 0.5 CD2 A:PHE57 4.6 22.1 1.0 C19 A:W8H201 4.6 14.5 0.5 CA A:ALA75 4.6 18.1 1.0 C6 A:W8H201 4.7 15.0 0.5 CG A:ASP76 4.7 16.1 1.0 OD1 A:ASP76 4.7 15.3 1.0 SD A:MET20 4.8 17.2 1.0 C1 A:W8H201 4.8 15.6 0.5 CA A:ALA33 4.8 12.2 1.0 C14 A:W8H201 4.8 22.6 0.5 C4 A:W8H201 4.9 12.6 0.5 C6 A:W8H201 4.9 20.4 0.5

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