Chlorine in PDB 7fx4: Crystal Structure of Human FABP4 in Complex with Rac-(1R,2S)-2-[(3,4- Dichlorophenoxy)Methyl]Cyclohexane-1-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with Rac-(1R,2S)-2-[(3,4- Dichlorophenoxy)Methyl]Cyclohexane-1-Carboxylic Acid, PDB code: 7fx4 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)	43.56 / 1.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.71, 53.611, 74.79, 90, 90, 90
R / Rfree (%)	14.5 / 16.5

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with Rac-(1R,2S)-2-[(3,4- Dichlorophenoxy)Methyl]Cyclohexane-1-Carboxylic Acid (pdb code 7fx4). 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 Rac-(1R,2S)-2-[(3,4- Dichlorophenoxy)Methyl]Cyclohexane-1-Carboxylic Acid, PDB code: 7fx4:
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 Rac-(1R,2S)-2-[(3,4- Dichlorophenoxy)Methyl]Cyclohexane-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 Rac-(1R,2S)-2-[(3,4- Dichlorophenoxy)Methyl]Cyclohexane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:28.5 occ:1.00 CL19 A:Q29203 0.0 28.5 1.0 C15 A:Q29203 1.8 17.9 1.0 H33 A:Q29203 2.4 20.2 1.0 C14 A:Q29203 2.5 20.7 1.0 HG21 A:VAL25 2.8 12.0 1.0 HG2 A:MET20 2.9 10.8 1.0 HH21 A:ARG78 3.0 11.1 1.0 C16 A:Q29203 3.0 17.1 1.0 HG11 A:VAL23 3.4 12.5 1.0 HG23 A:VAL25 3.4 10.8 1.0 CG2 A:VAL25 3.5 11.0 1.0 OD1 A:ASP76 3.5 13.2 1.0 NH2 A:ARG78 3.6 10.8 1.0 CG A:ASP76 3.6 12.1 1.0 HG22 A:VAL25 3.7 11.3 1.0 HE2 A:TYR19 3.7 8.8 1.0 HH22 A:ARG78 3.8 11.0 1.0 CL20 A:Q29203 3.8 26.1 1.0 C13 A:Q29203 3.8 22.5 1.0 OD2 A:ASP76 3.8 13.5 1.0 HB3 A:ASP76 3.9 15.5 1.0 CG A:MET20 3.9 9.5 1.0 HA A:MET20 3.9 8.6 1.0 HG21 A:VAL23 4.0 10.9 1.0 HE A:ARG78 4.0 11.6 1.0 HG12 A:VAL23 4.1 12.7 1.0 CG1 A:VAL23 4.1 12.7 1.0 HB A:VAL23 4.1 11.2 1.0 C17 A:Q29203 4.2 17.2 1.0 CB A:ASP76 4.3 14.3 1.0 HG3 A:MET20 4.4 9.7 1.0 CE2 A:TYR19 4.5 9.3 1.0 C18 A:Q29203 4.5 21.7 1.0 CZ A:ARG78 4.5 11.0 1.0 O A:HOH363 4.5 13.1 1.0 HB3 A:MET20 4.5 9.2 1.0 CB A:VAL23 4.5 11.1 1.0 SD A:MET20 4.6 11.2 1.0 CB A:MET20 4.6 9.0 1.0 HD2 A:TYR19 4.7 8.6 1.0 O21 A:Q29203 4.7 25.6 1.0 HG11 A:VAL25 4.7 11.4 1.0 NE A:ARG78 4.7 11.8 1.0 CA A:MET20 4.7 8.7 1.0 CG2 A:VAL23 4.7 11.1 1.0 HZ A:PHE16 4.8 15.3 1.0 HB2 A:ASP76 4.8 14.9 1.0 H A:ASP76 4.8 14.2 1.0 CB A:VAL25 4.8 10.1 1.0 HG13 A:VAL23 4.9 13.0 1.0 CD2 A:TYR19 5.0 9.1 1.0 HE1 A:PHE16 5.0 13.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with Rac-(1R,2S)-2-[(3,4- Dichlorophenoxy)Methyl]Cyclohexane-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 Rac-(1R,2S)-2-[(3,4- Dichlorophenoxy)Methyl]Cyclohexane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:26.1 occ:1.00 CL20 A:Q29203 0.0 26.1 1.0 C16 A:Q29203 1.7 17.1 1.0 C17 A:Q29203 2.6 17.2 1.0 HB3 A:ASP76 2.6 15.5 1.0 H34 A:Q29203 2.7 17.8 1.0 C15 A:Q29203 2.8 17.9 1.0 HB1 A:ALA33 3.2 11.9 1.0 HE2 A:PHE57 3.3 23.9 1.0 HB2 A:ALA33 3.3 12.0 1.0 HB3 A:ALA75 3.6 16.1 1.0 HG22 A:THR29 3.6 13.1 1.0 CB A:ALA33 3.6 12.2 1.0 CB A:ASP76 3.6 14.3 1.0 HB3 A:ALA33 3.6 12.0 1.0 CL19 A:Q29203 3.8 28.5 1.0 H A:ASP76 3.8 14.2 1.0 HG11 A:VAL25 3.9 11.4 1.0 N A:ASP76 3.9 14.4 1.0 HG21 A:VAL25 3.9 12.0 1.0 C18 A:Q29203 3.9 21.7 1.0 SD A:MET20 4.0 11.2 1.0 C14 A:Q29203 4.0 20.7 1.0 CE2 A:PHE57 4.0 25.9 1.0 HA A:ASP76 4.1 15.0 1.0 HG23 A:THR29 4.1 12.8 1.0 CA A:ASP76 4.1 15.0 1.0 CG2 A:THR29 4.2 13.4 1.0 HB2 A:ASP76 4.2 14.9 1.0 HG21 A:THR29 4.2 13.3 1.0 CG A:ASP76 4.2 12.1 1.0 HZ A:PHE57 4.2 25.4 1.0 OD1 A:ASP76 4.3 13.2 1.0 HB1 A:ALA75 4.3 16.0 1.0 CB A:ALA75 4.3 16.0 1.0 C A:ALA75 4.4 15.3 1.0 HG2 A:MET20 4.4 10.8 1.0 C13 A:Q29203 4.5 22.5 1.0 HZ A:PHE16 4.5 15.3 1.0 CZ A:PHE57 4.5 27.6 1.0 H35 A:Q29203 4.7 21.1 1.0 CG1 A:VAL25 4.7 11.6 1.0 HG13 A:VAL25 4.7 11.4 1.0 H33 A:Q29203 4.8 20.2 1.0 O A:ALA75 4.8 17.9 1.0 CG2 A:VAL25 4.8 11.0 1.0 CG A:MET20 4.9 9.5 1.0 CA A:ALA75 4.9 15.9 1.0 CD2 A:PHE57 5.0 22.7 1.0 HD2 A:PHE57 5.0 23.1 1.0 HG22 A:VAL25 5.0 11.3 1.0

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