Chlorine in PDB 7fw6: Crystal Structure of Human FABP4 in Complex with 2-[(3-Chlorophenoxy) Methyl]-4-Phenoxycyclohexane-1-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 2-[(3-Chlorophenoxy) Methyl]-4-Phenoxycyclohexane-1-Carboxylic Acid, PDB code: 7fw6 was solved by A.Ehler, J.Benz, U.Obst, B.Buettelmann, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.72 / 1.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.518, 53.802, 75.425, 90, 90, 90
R / Rfree (%)	14.8 / 18.1

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 2-[(3-Chlorophenoxy) Methyl]-4-Phenoxycyclohexane-1-Carboxylic Acid (pdb code 7fw6). 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-[(3-Chlorophenoxy) Methyl]-4-Phenoxycyclohexane-1-Carboxylic Acid, PDB code: 7fw6:
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-[(3-Chlorophenoxy) Methyl]-4-Phenoxycyclohexane-1-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 2-[(3-Chlorophenoxy) Methyl]-4-Phenoxycyclohexane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:22.0 occ:0.50 CL25 A:KLX201 0.0 22.0 0.5 C22 A:KLX201 0.7 12.5 0.5 C21 A:KLX201 0.8 9.4 0.5 H45 A:KLX201 1.4 10.5 0.5 H44 A:KLX201 1.4 10.2 0.5 C23 A:KLX201 1.7 13.8 0.5 C23 A:KLX201 1.9 9.3 0.5 C20 A:KLX201 2.0 12.1 0.5 C22 A:KLX201 2.6 14.7 0.5 C24 A:KLX201 2.7 9.8 0.5 H45 A:KLX201 2.7 13.7 0.5 C24 A:KLX201 2.7 11.1 0.5 C19 A:KLX201 2.7 11.0 0.5 H43 A:KLX201 2.8 10.5 0.5 H46 A:KLX201 2.9 11.2 0.5 HB3 A:ALA36 2.9 12.3 1.0 HG3 A:PRO38 3.0 16.4 1.0 HD2 A:PHE57 3.2 14.6 1.0 HG A:SER55 3.3 12.8 1.0 CL25 A:KLX201 3.4 11.7 0.5 CB A:ALA36 3.6 11.6 1.0 HB1 A:ALA36 3.6 11.0 1.0 H46 A:KLX201 3.6 9.9 0.5 HB3 A:PHE57 3.7 13.8 1.0 HB2 A:ALA36 3.8 11.1 1.0 C21 A:KLX201 3.9 13.5 0.5 HB1 A:ALA33 3.9 9.6 1.0 OG A:SER55 4.0 13.4 1.0 C19 A:KLX201 4.0 9.5 0.5 CG A:PRO38 4.0 18.6 1.0 O A:ALA33 4.0 10.2 1.0 HA A:ALA33 4.0 8.9 1.0 HD3 A:PRO38 4.0 11.9 1.0 CD2 A:PHE57 4.1 14.4 1.0 O18 A:KLX201 4.2 14.9 0.5 O A:HOH356 4.2 11.7 1.0 HH22 A:ARG126 4.2 13.4 0.5 HB3 A:SER55 4.3 11.3 1.0 H26 A:KLX201 4.3 10.7 0.5 HH22 A:ARG126 4.3 10.0 0.5 HB3 A:PRO38 4.3 11.3 1.0 H26 A:KLX201 4.4 10.6 0.5 HB2 A:SER55 4.4 12.1 1.0 HB1 A:ALA75 4.5 12.2 1.0 C20 A:KLX201 4.5 13.0 0.5 HG2 A:PRO38 4.5 17.3 1.0 CB A:SER55 4.5 12.2 1.0 CB A:PHE57 4.5 14.2 1.0 CD A:PRO38 4.6 12.2 1.0 HH21 A:ARG126 4.6 14.0 0.5 CA A:ALA33 4.7 8.9 1.0 H41 A:KLX201 4.7 16.7 0.5 H44 A:KLX201 4.7 12.9 0.5 NH2 A:ARG126 4.7 14.4 0.5 CB A:ALA33 4.7 9.8 1.0 HH21 A:ARG126 4.8 10.2 0.5 C A:ALA33 4.8 9.3 1.0 CB A:PRO38 4.8 11.1 1.0 CG A:PHE57 4.8 14.3 1.0 HE2 A:PHE57 4.8 17.0 1.0 HB2 A:PHE57 4.8 13.8 1.0 H A:LYS58 4.8 11.3 1.0 HB3 A:ALA75 4.8 12.4 1.0 H42 A:KLX201 4.8 8.8 0.5 NH2 A:ARG126 4.9 10.1 0.5 H42 A:KLX201 4.9 15.9 0.5 CA A:ALA36 4.9 10.3 1.0 H27 A:KLX201 4.9 11.1 0.5 CE2 A:PHE57 4.9 17.6 1.0 H A:ALA36 4.9 9.6 1.0 HB2 A:ALA75 4.9 11.8 1.0 CB A:ALA75 5.0 12.2 1.0 C17 A:KLX201 5.0 15.9 0.5 H27 A:KLX201 5.0 11.4 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 2-[(3-Chlorophenoxy) Methyl]-4-Phenoxycyclohexane-1-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 2-[(3-Chlorophenoxy) Methyl]-4-Phenoxycyclohexane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:11.7 occ:0.50 CL25 A:KLX201 0.0 11.7 0.5 C21 A:KLX201 1.0 13.5 0.5 C22 A:KLX201 1.1 14.7 0.5 H44 A:KLX201 1.6 12.9 0.5 H45 A:KLX201 1.7 13.7 0.5 C23 A:KLX201 1.7 9.3 0.5 C20 A:KLX201 1.9 13.0 0.5 C23 A:KLX201 2.0 13.8 0.5 C19 A:KLX201 2.5 9.5 0.5 C24 A:KLX201 2.6 11.1 0.5 C24 A:KLX201 2.7 9.8 0.5 H43 A:KLX201 2.7 13.0 0.5 C22 A:KLX201 2.7 12.5 0.5 H46 A:KLX201 2.8 9.9 0.5 H45 A:KLX201 2.8 10.5 0.5 O A:LYS58 3.4 11.5 1.0 CL25 A:KLX201 3.4 22.0 0.5 HB3 A:SER53 3.4 14.8 1.0 HB2 A:SER53 3.5 15.9 1.0 H46 A:KLX201 3.5 11.2 0.5 HB3 A:PRO38 3.5 11.3 1.0 HB3 A:SER55 3.6 11.3 1.0 OG A:SER55 3.7 13.4 1.0 O A:HOH302 3.7 14.8 0.5 HG A:SER55 3.7 12.8 1.0 HB2 A:ALA75 3.7 11.8 1.0 O18 A:KLX201 3.8 8.6 0.5 HG23 A:THR60 3.8 14.9 1.0 HG3 A:PRO38 3.8 16.4 1.0 HB3 A:LYS58 3.9 14.1 0.5 HB1 A:ALA75 3.9 12.2 1.0 CB A:SER53 3.9 15.7 1.0 HB2 A:LYS58 4.0 14.1 0.5 C21 A:KLX201 4.0 9.4 0.5 C19 A:KLX201 4.0 11.0 0.5 CB A:SER55 4.2 12.2 1.0 H41 A:KLX201 4.2 16.7 0.5 CB A:ALA75 4.2 12.2 1.0 H A:LYS58 4.3 11.3 1.0 C A:LYS58 4.3 10.9 1.0 CB A:PRO38 4.3 11.1 1.0 C20 A:KLX201 4.5 12.1 0.5 CG A:PRO38 4.5 18.6 1.0 OG1 A:THR60 4.5 13.4 1.0 HA A:ASN59 4.6 11.9 1.0 HD2 A:PHE57 4.6 14.6 1.0 HB2 A:PRO38 4.6 11.4 1.0 HB3 A:ALA75 4.7 12.4 1.0 CG2 A:THR60 4.7 15.7 1.0 H A:THR60 4.7 10.5 1.0 O A:SER53 4.7 15.3 1.0 H41 A:KLX201 4.7 9.4 0.5 CB A:LYS58 4.7 14.3 0.5 C17 A:KLX201 4.8 9.3 0.5 C A:SER53 4.8 12.3 1.0 H44 A:KLX201 4.8 10.2 0.5 OG A:SER53 4.8 21.3 1.0 CB A:LYS58 4.8 14.7 0.5 HB2 A:SER55 4.8 12.1 1.0 H42 A:KLX201 4.9 8.8 0.5 H42 A:KLX201 4.9 15.9 0.5 HG2 A:PRO38 4.9 17.3 1.0 HG21 A:THR60 4.9 16.1 1.0 N A:LYS58 5.0 11.9 1.0 C17 A:KLX201 5.0 15.9 0.5 CA A:LYS58 5.0 11.3 0.5 CA A:SER53 5.0 12.5 1.0 N A:SER55 5.0 12.1 1.0 CA A:LYS58 5.0 11.4 0.5

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