Chlorine in PDB 7fzx: Crystal Structure of Human FABP4 in Complex with (2S)-6-(4- Chlorophenoxy)-2-(4-Methylphenoxy)Hexanoic Acid

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

Resolution Low / High (Å)	43.73 / 1.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.514, 53.749, 75.204, 90, 90, 90
R / Rfree (%)	14.7 / 17.8

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with (2S)-6-(4- Chlorophenoxy)-2-(4-Methylphenoxy)Hexanoic Acid (pdb code 7fzx). 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 (2S)-6-(4- Chlorophenoxy)-2-(4-Methylphenoxy)Hexanoic Acid, PDB code: 7fzx:
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 (2S)-6-(4- Chlorophenoxy)-2-(4-Methylphenoxy)Hexanoic 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 (2S)-6-(4- Chlorophenoxy)-2-(4-Methylphenoxy)Hexanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:22.2 occ:0.50 CL24 A:WIC201 0.0 22.2 0.5 C28 A:WIC201 1.6 13.2 0.5 C28 A:WIC201 1.7 16.7 0.5 CL24 A:WIC201 1.8 18.4 0.5 C27 A:WIC201 2.2 13.6 0.5 H271 A:WIC201 2.4 14.0 0.5 C29 A:WIC201 2.4 13.8 0.5 C27 A:WIC201 2.7 18.8 0.5 C29 A:WIC201 2.7 18.6 0.5 SD A:MET20 2.7 12.9 1.0 H271 A:WIC201 2.8 19.2 0.5 H291 A:WIC201 2.8 15.2 0.5 H291 A:WIC201 2.8 18.0 0.5 HG2 A:MET20 3.1 10.7 1.0 C26 A:WIC201 3.2 12.7 0.5 HB3 A:ALA33 3.2 10.1 1.0 HB1 A:ALA33 3.3 10.2 1.0 C30 A:WIC201 3.4 14.8 0.5 HG21 A:VAL25 3.4 10.5 1.0 HZ A:PHE16 3.5 12.9 1.0 CG A:MET20 3.5 10.2 1.0 HG11 A:VAL25 3.5 10.7 1.0 CB A:ALA33 3.6 10.2 1.0 HB3 A:ASP76 3.6 19.3 1.0 HE2 A:PHE16 3.7 12.0 1.0 C25 A:WIC201 3.7 13.3 0.5 HB2 A:ALA33 3.8 10.1 1.0 H261 A:WIC201 3.8 13.8 0.5 HG22 A:THR29 3.9 12.0 1.0 C26 A:WIC201 4.0 20.1 0.5 C30 A:WIC201 4.0 15.8 0.5 CZ A:PHE16 4.0 13.5 1.0 HG3 A:MET20 4.0 10.6 1.0 CE2 A:PHE16 4.1 12.5 1.0 H301 A:WIC201 4.1 15.0 0.5 CE A:MET20 4.3 16.0 1.0 CG2 A:VAL25 4.4 10.5 1.0 C25 A:WIC201 4.4 19.5 0.5 CG1 A:VAL25 4.4 10.8 1.0 HE1 A:MET20 4.5 13.8 1.0 HB3 A:MET20 4.5 9.4 1.0 CB A:ASP76 4.6 19.6 1.0 HA A:ARG30 4.6 9.1 1.0 HE11 A:WIC201 4.6 13.4 0.5 HE11 A:WIC201 4.6 13.4 0.5 HE2 A:MET20 4.7 13.4 1.0 HD11 A:WIC201 4.7 13.3 0.5 CB A:MET20 4.7 9.0 1.0 HD11 A:WIC201 4.7 13.2 0.5 H261 A:WIC201 4.7 20.9 0.5 HG13 A:VAL25 4.7 10.6 1.0 HB3 A:ALA75 4.7 16.5 1.0 CG2 A:THR29 4.7 11.7 1.0 H301 A:WIC201 4.7 18.6 0.5 HG22 A:VAL25 4.8 11.2 1.0 HG23 A:THR29 4.8 10.8 1.0 HG23 A:VAL25 4.9 10.5 1.0 HE3 A:MET20 4.9 12.8 1.0 CE1 A:WIC201 4.9 13.9 0.5 CE1 A:WIC201 4.9 13.9 0.5 CD1 A:WIC201 4.9 13.0 0.5 CD1 A:WIC201 4.9 12.9 0.5 CG A:ASP76 5.0 15.9 1.0 HG21 A:THR29 5.0 11.6 1.0 HB2 A:ASP76 5.0 18.5 1.0 O17 A:WIC201 5.0 16.1 0.5 CB A:VAL25 5.0 9.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with (2S)-6-(4- Chlorophenoxy)-2-(4-Methylphenoxy)Hexanoic 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 (2S)-6-(4- Chlorophenoxy)-2-(4-Methylphenoxy)Hexanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.4 occ:0.50 CL24 A:WIC201 0.0 18.4 0.5 C28 A:WIC201 1.7 13.2 0.5 CL24 A:WIC201 1.8 22.2 0.5 HB3 A:ASP76 2.4 19.3 1.0 C28 A:WIC201 2.6 16.7 0.5 C27 A:WIC201 2.6 13.6 0.5 C29 A:WIC201 2.7 13.8 0.5 H271 A:WIC201 2.7 14.0 0.5 H291 A:WIC201 2.8 15.2 0.5 HG22 A:THR29 2.9 12.0 1.0 H291 A:WIC201 3.0 18.0 0.5 C29 A:WIC201 3.1 18.6 0.5 HB2 A:ALA33 3.3 10.1 1.0 HB1 A:ALA33 3.3 10.2 1.0 CB A:ASP76 3.4 19.6 1.0 HB3 A:ALA33 3.4 10.1 1.0 HG23 A:THR29 3.5 10.8 1.0 CB A:ALA33 3.5 10.2 1.0 CG2 A:THR29 3.5 11.7 1.0 HG21 A:THR29 3.5 11.6 1.0 HG11 A:VAL25 3.6 10.7 1.0 C27 A:WIC201 3.7 18.8 0.5 HB3 A:ALA75 3.7 16.5 1.0 HE2 A:PHE57 3.7 15.7 1.0 HB2 A:ASP76 3.8 18.5 1.0 H271 A:WIC201 3.9 19.2 0.5 HG21 A:VAL25 3.9 10.5 1.0 HA A:ASP76 3.9 14.9 1.0 H A:ASP76 3.9 14.4 1.0 N A:ASP76 3.9 14.5 1.0 C26 A:WIC201 3.9 12.7 0.5 C30 A:WIC201 4.0 14.8 0.5 CA A:ASP76 4.0 14.0 1.0 SD A:MET20 4.2 12.9 1.0 CG A:ASP76 4.2 15.9 1.0 HG13 A:VAL25 4.2 10.6 1.0 CG1 A:VAL25 4.3 10.8 1.0 OD1 A:ASP76 4.4 15.3 1.0 C30 A:WIC201 4.4 15.8 0.5 C A:ALA75 4.4 15.5 1.0 CE2 A:PHE57 4.4 17.4 1.0 C25 A:WIC201 4.5 13.3 0.5 CB A:ALA75 4.5 16.5 1.0 HB1 A:ALA75 4.6 15.5 1.0 H261 A:WIC201 4.6 13.8 0.5 HG2 A:MET20 4.7 10.7 1.0 O A:ALA75 4.7 16.7 1.0 H301 A:WIC201 4.7 15.0 0.5 CG2 A:VAL25 4.7 10.5 1.0 O A:THR29 4.7 9.5 1.0 C26 A:WIC201 4.8 20.1 0.5 HG22 A:VAL25 4.8 11.2 1.0 CB A:THR29 4.9 10.1 1.0 HZ A:PHE57 4.9 16.1 1.0 HG12 A:VAL25 5.0 10.6 1.0 H301 A:WIC201 5.0 18.6 0.5 C25 A:WIC201 5.0 19.5 0.5

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