Chlorine in PDB 7fvy: Crystal Structure of Human FABP4 in Complex with 2-[(3-Chlorophenyl) Methyl]-1,3-Thiazole-4-Carboxylic Acid

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

Resolution Low / High (Å)	37.50 / 1.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.278, 53.731, 75.022, 90, 90, 90
R / Rfree (%)	12.8 / 15.1

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 2-[(3-Chlorophenyl) Methyl]-1,3-Thiazole-4-Carboxylic Acid (pdb code 7fvy). 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-Chlorophenyl) Methyl]-1,3-Thiazole-4-Carboxylic Acid, PDB code: 7fvy:
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-Chlorophenyl) Methyl]-1,3-Thiazole-4-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-Chlorophenyl) Methyl]-1,3-Thiazole-4-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:12.0 occ:0.30 CL16 A:IWI201 0.0 12.0 0.3 H22 A:IWI201 0.3 12.5 0.7 C12 A:IWI201 1.0 13.1 0.7 C14 A:IWI201 1.6 14.1 0.3 C11 A:IWI201 1.9 14.1 0.7 H21 A:IWI201 2.1 13.8 0.7 H24 A:IWI201 2.2 15.0 0.3 C13 A:IWI201 2.2 11.5 0.7 C15 A:IWI201 2.2 14.8 0.3 H23 A:IWI201 2.6 11.4 0.7 C13 A:IWI201 2.7 13.1 0.3 HG2 A:MET20 2.9 8.1 1.0 H23 A:IWI201 3.0 13.6 0.3 HG11 A:VAL23 3.0 11.3 1.0 HH21 A:ARG78 3.1 9.2 1.0 HG21 A:VAL25 3.2 9.0 1.0 C10 A:IWI201 3.2 14.8 0.7 HE2 A:TYR19 3.3 7.3 1.0 HG21 A:VAL23 3.3 11.0 1.0 HG23 A:VAL25 3.3 9.1 1.0 C14 A:IWI201 3.4 11.3 0.7 HA A:MET20 3.5 7.1 1.0 C10 A:IWI201 3.5 13.9 0.3 HB A:VAL23 3.6 10.7 1.0 NH2 A:ARG78 3.6 9.2 1.0 CG2 A:VAL25 3.6 9.2 1.0 C15 A:IWI201 3.7 14.2 0.7 HH22 A:ARG78 3.8 9.2 1.0 CG1 A:VAL23 3.8 11.3 1.0 OD1 A:ASP76 3.8 9.5 1.0 HG12 A:VAL23 3.9 11.4 1.0 CG A:ASP76 3.9 9.8 1.0 HG22 A:VAL25 3.9 9.0 1.0 CG A:MET20 3.9 8.1 1.0 OD2 A:ASP76 3.9 10.3 1.0 CE2 A:TYR19 3.9 7.8 1.0 H20 A:IWI201 3.9 9.0 0.3 C12 A:IWI201 3.9 13.6 0.3 CB A:VAL23 4.0 10.4 1.0 CG2 A:VAL23 4.1 11.1 1.0 HE A:ARG78 4.1 9.3 1.0 HB3 A:ASP76 4.2 10.6 1.0 C11 A:IWI201 4.2 15.6 0.3 O A:HOH371 4.2 9.3 1.0 HD2 A:TYR19 4.2 7.1 1.0 C09 A:IWI201 4.3 8.9 0.3 CA A:MET20 4.4 7.2 1.0 HG3 A:MET20 4.4 7.8 1.0 CZ A:ARG78 4.4 9.0 1.0 CD2 A:TYR19 4.5 7.4 1.0 HB3 A:MET20 4.5 7.4 1.0 CB A:MET20 4.5 7.3 1.0 HG13 A:VAL23 4.6 11.1 1.0 CB A:ASP76 4.6 10.8 1.0 C09 A:IWI201 4.6 18.6 0.7 HG23 A:VAL23 4.7 10.3 1.0 HZ A:PHE16 4.7 11.4 1.0 H24 A:IWI201 4.7 12.9 0.7 HG22 A:VAL23 4.7 10.9 1.0 H20 A:IWI201 4.7 18.3 0.7 NE A:ARG78 4.7 9.2 1.0 H22 A:IWI201 4.8 14.3 0.3 CZ A:TYR19 4.8 7.2 1.0 SD A:MET20 4.8 8.6 1.0 CL16 A:IWI201 4.9 13.0 0.7 S05 A:IWI201 4.9 11.0 0.3 HH A:TYR19 4.9 8.1 1.0 OH A:TYR19 5.0 8.3 1.0 HE1 A:PHE16 5.0 11.0 1.0 HB2 A:ASP76 5.0 10.6 1.0 C04 A:IWI201 5.0 7.8 0.3

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 2-[(3-Chlorophenyl) Methyl]-1,3-Thiazole-4-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-Chlorophenyl) Methyl]-1,3-Thiazole-4-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:13.0 occ:0.70 CL16 A:IWI201 0.0 13.0 0.7 H22 A:IWI201 1.0 14.3 0.3 C12 A:IWI201 1.6 13.6 0.3 C14 A:IWI201 1.7 11.3 0.7 C13 A:IWI201 2.2 13.1 0.3 H23 A:IWI201 2.2 13.6 0.3 C13 A:IWI201 2.7 11.5 0.7 H23 A:IWI201 2.7 11.4 0.7 C15 A:IWI201 2.7 14.2 0.7 C11 A:IWI201 2.8 15.6 0.3 H24 A:IWI201 2.8 12.9 0.7 HE2 A:PHE57 2.9 19.0 1.0 HB1 A:ALA33 3.0 9.5 1.0 HB3 A:ALA75 3.1 11.2 1.0 HB3 A:ASP76 3.1 10.6 1.0 H21 A:IWI201 3.2 13.8 0.3 HB2 A:ALA33 3.4 9.7 1.0 C14 A:IWI201 3.5 14.1 0.3 CE2 A:PHE57 3.5 22.3 1.0 CB A:ALA33 3.6 9.8 1.0 HB3 A:ALA33 3.8 9.6 1.0 HB1 A:ALA75 3.8 11.1 1.0 CB A:ALA75 3.8 11.2 1.0 HZ A:PHE57 3.9 20.0 1.0 C10 A:IWI201 3.9 13.9 0.3 H A:ASP76 3.9 10.2 1.0 C12 A:IWI201 4.0 13.1 0.7 N A:ASP76 4.0 10.5 1.0 C10 A:IWI201 4.1 14.8 0.7 CB A:ASP76 4.1 10.8 1.0 CZ A:PHE57 4.1 21.8 1.0 C15 A:IWI201 4.2 14.8 0.3 C A:ALA75 4.3 10.5 1.0 HG22 A:THR29 4.3 10.7 1.0 HA A:ASP76 4.3 10.9 1.0 SD A:MET20 4.4 8.6 1.0 HZ A:PHE16 4.4 11.4 1.0 CA A:ASP76 4.4 10.9 1.0 CD2 A:PHE57 4.4 18.4 1.0 C11 A:IWI201 4.5 14.1 0.7 HD2 A:PHE57 4.5 18.1 1.0 HB2 A:ALA75 4.5 10.9 1.0 HE2 A:PHE16 4.6 10.8 1.0 O A:HOH438 4.6 23.7 1.0 OD1 A:ASP76 4.6 9.5 1.0 CA A:ALA75 4.7 10.6 1.0 HG23 A:THR29 4.7 10.7 1.0 HB2 A:ASP76 4.7 10.6 1.0 H22 A:IWI201 4.7 12.5 0.7 O A:ALA75 4.7 12.2 1.0 CG A:ASP76 4.8 9.8 1.0 HG21 A:VAL25 4.8 9.0 1.0 HG11 A:VAL25 4.8 9.2 1.0 CG2 A:THR29 4.8 11.0 1.0 CL16 A:IWI201 4.9 12.0 0.3 HG21 A:THR29 4.9 10.7 1.0 O A:HOH490 4.9 26.8 0.7 HG2 A:MET20 4.9 8.1 1.0 CA A:ALA33 4.9 8.6 1.0

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