Chlorine in PDB 7fwh: Crystal Structure of Human FABP4 in Complex with 3-[5-(3,5- Dichlorophenyl)Tetrazol-2-Yl]Propanoic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 3-[5-(3,5- Dichlorophenyl)Tetrazol-2-Yl]Propanoic Acid, PDB code: 7fwh 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)	37.61 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.318, 53.869, 75.221, 90, 90, 90
R / Rfree (%)	13 / 15

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 3-[5-(3,5- Dichlorophenyl)Tetrazol-2-Yl]Propanoic Acid (pdb code 7fwh). 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 3-[5-(3,5- Dichlorophenyl)Tetrazol-2-Yl]Propanoic Acid, PDB code: 7fwh:
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 3-[5-(3,5- Dichlorophenyl)Tetrazol-2-Yl]Propanoic 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 3-[5-(3,5- Dichlorophenyl)Tetrazol-2-Yl]Propanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:19.5 occ:1.00 CL13 A:N1I201 0.0 19.5 1.0 C9 A:N1I201 1.7 14.8 1.0 C12 A:N1I201 2.7 13.6 1.0 C5 A:N1I201 2.7 15.1 1.0 CB A:ALA33 3.4 11.5 1.0 CE2 A:PHE57 3.7 18.1 1.0 CB A:ASP76 3.8 12.6 1.0 N A:ASP76 3.9 12.9 1.0 CB A:ALA75 4.0 14.9 1.0 C2 A:N1I201 4.0 13.4 1.0 C10 A:N1I201 4.0 12.6 1.0 CG2 A:THR29 4.1 12.4 1.0 SD A:MET20 4.2 10.0 1.0 C A:ALA75 4.2 12.8 1.0 CA A:ASP76 4.2 13.2 1.0 CD2 A:PHE57 4.3 18.1 1.0 OD1 A:ASP76 4.5 11.9 1.0 C6 A:N1I201 4.5 12.2 1.0 CG A:ASP76 4.5 11.5 1.0 O A:ALA75 4.6 15.9 1.0 CZ A:PHE57 4.6 19.6 1.0 CA A:ALA75 4.7 14.2 1.0 O A:HOH451 4.7 28.3 1.0 CA A:ALA33 4.9 10.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 3-[5-(3,5- Dichlorophenyl)Tetrazol-2-Yl]Propanoic 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 3-[5-(3,5- Dichlorophenyl)Tetrazol-2-Yl]Propanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:12.9 occ:1.00 CL14 A:N1I201 0.0 12.9 1.0 C10 A:N1I201 1.7 12.6 1.0 C6 A:N1I201 2.7 12.2 1.0 C12 A:N1I201 2.7 13.6 1.0 NH2 A:ARG78 3.5 10.3 1.0 CG1 A:VAL23 3.6 11.4 1.0 CG2 A:VAL25 3.6 11.0 1.0 CE2 A:TYR19 3.8 8.7 1.0 CB A:VAL23 3.8 9.3 1.0 CG2 A:VAL23 3.8 9.9 1.0 C2 A:N1I201 4.0 13.4 1.0 CG A:MET20 4.0 9.3 1.0 C9 A:N1I201 4.0 14.8 1.0 OD2 A:ASP76 4.0 12.8 1.0 OD1 A:ASP76 4.1 11.9 1.0 O A:HOH361 4.1 11.8 1.0 CG A:ASP76 4.2 11.5 1.0 CZ A:ARG78 4.2 10.2 1.0 CA A:MET20 4.2 8.4 1.0 CD2 A:TYR19 4.3 9.1 1.0 CZ A:TYR19 4.4 8.1 1.0 NE A:ARG78 4.5 10.6 1.0 C5 A:N1I201 4.5 15.1 1.0 CB A:MET20 4.5 8.9 1.0 OH A:TYR19 4.5 9.3 1.0 SD A:MET20 5.0 10.0 1.0 O A:MET20 5.0 9.3 1.0 N A:MET20 5.0 8.2 1.0

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