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

The structure of Crystal Structure of Human FABP4 in Complex with 2-[2-(3- Chlorophenyl)Ethyl]-1,3-Thiazole-4-Carboxylic Acid, PDB code: 7fvw 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)	43.77 / 1.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.305, 53.826, 75.102, 90, 90, 90
R / Rfree (%)	14.2 / 17

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 2-[2-(3- Chlorophenyl)Ethyl]-1,3-Thiazole-4-Carboxylic Acid (pdb code 7fvw). 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-[2-(3- Chlorophenyl)Ethyl]-1,3-Thiazole-4-Carboxylic Acid, PDB code: 7fvw:
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-[2-(3- Chlorophenyl)Ethyl]-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-[2-(3- Chlorophenyl)Ethyl]-1,3-Thiazole-4-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:11.0 occ:0.70 CL17 A:IQH201 0.0 11.0 0.7 H20 A:IQH201 0.7 13.7 0.3 C05 A:IQH201 1.4 14.1 0.3 C03 A:IQH201 1.7 10.9 0.7 C04 A:IQH201 2.1 17.6 0.3 H19 A:IQH201 2.2 16.2 0.3 C06 A:IQH201 2.6 13.8 0.3 C04 A:IQH201 2.6 12.2 0.7 C02 A:IQH201 2.7 10.1 0.7 H19 A:IQH201 2.7 10.7 0.7 H18 A:IQH201 2.8 10.7 0.7 HG2 A:MET20 2.9 6.8 1.0 H21 A:IQH201 2.9 13.3 0.3 HG21 A:VAL25 3.1 7.5 1.0 HG11 A:VAL23 3.2 8.9 1.0 HE2 A:TYR19 3.2 5.6 1.0 HH21 A:ARG78 3.3 7.3 1.0 HG21 A:VAL23 3.4 8.4 1.0 HG23 A:VAL25 3.4 7.5 1.0 C03 A:IQH201 3.4 15.9 0.3 HA A:MET20 3.5 5.3 1.0 HB A:VAL23 3.6 7.6 1.0 CG2 A:VAL25 3.6 7.6 1.0 C01 A:IQH201 3.7 16.0 0.3 NH2 A:ARG78 3.7 7.4 1.0 CG1 A:VAL23 3.8 9.3 1.0 HG12 A:VAL23 3.8 9.1 1.0 CG A:MET20 3.9 6.4 1.0 HH22 A:ARG78 3.9 7.3 1.0 CE2 A:TYR19 3.9 5.8 1.0 CG A:ASP76 3.9 7.8 1.0 HG22 A:VAL25 3.9 7.4 1.0 OD1 A:ASP76 3.9 7.8 1.0 C05 A:IQH201 3.9 14.0 0.7 OD2 A:ASP76 3.9 8.4 1.0 C01 A:IQH201 4.0 11.6 0.7 C02 A:IQH201 4.0 19.9 0.3 CB A:VAL23 4.1 7.2 1.0 CG2 A:VAL23 4.1 8.6 1.0 HE A:ARG78 4.1 7.3 1.0 HB3 A:ASP76 4.2 8.4 1.0 HD2 A:TYR19 4.2 5.6 1.0 O A:HOH377 4.3 8.1 1.0 HG3 A:MET20 4.4 6.0 1.0 CA A:MET20 4.4 5.4 1.0 HB3 A:MET20 4.4 5.9 1.0 C06 A:IQH201 4.4 15.1 0.7 CD2 A:TYR19 4.4 6.1 1.0 CB A:MET20 4.5 5.6 1.0 CZ A:ARG78 4.5 7.3 1.0 CB A:ASP76 4.6 8.6 1.0 HZ A:PHE16 4.6 8.8 1.0 HG22 A:VAL23 4.7 8.2 1.0 HG13 A:VAL23 4.7 9.3 1.0 H20 A:IQH201 4.7 13.5 0.7 CL17 A:IQH201 4.7 18.1 0.3 SD A:MET20 4.8 6.5 1.0 HG23 A:VAL23 4.8 7.6 1.0 NE A:ARG78 4.8 7.1 1.0 CZ A:TYR19 4.8 5.3 1.0 H24 A:IQH201 4.8 12.1 0.3 HE1 A:PHE16 4.8 9.6 1.0 OH A:TYR19 4.9 6.9 1.0 H24 A:IQH201 4.9 11.0 0.7 HB2 A:ASP76 4.9 8.7 1.0 H18 A:IQH201 5.0 15.4 0.3

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 2-[2-(3- Chlorophenyl)Ethyl]-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-[2-(3- Chlorophenyl)Ethyl]-1,3-Thiazole-4-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.1 occ:0.30 CL17 A:IQH201 0.0 18.1 0.3 H20 A:IQH201 1.1 13.5 0.7 C05 A:IQH201 1.5 14.0 0.7 C03 A:IQH201 1.7 15.9 0.3 C04 A:IQH201 2.2 12.2 0.7 H19 A:IQH201 2.4 10.7 0.7 C06 A:IQH201 2.6 15.1 0.7 HE2 A:PHE57 2.6 13.9 1.0 C02 A:IQH201 2.7 19.9 0.3 C04 A:IQH201 2.7 17.6 0.3 H18 A:IQH201 2.8 15.4 0.3 H19 A:IQH201 2.8 16.2 0.3 H21 A:IQH201 2.9 13.8 0.7 HB1 A:ALA33 2.9 7.8 1.0 HB3 A:ASP76 3.0 8.4 1.0 HB3 A:ALA75 3.1 8.4 1.0 HB2 A:ALA33 3.3 7.9 1.0 CE2 A:PHE57 3.3 15.5 1.0 C03 A:IQH201 3.4 10.9 0.7 CB A:ALA33 3.4 7.9 1.0 HZ A:PHE57 3.6 15.3 1.0 C01 A:IQH201 3.7 11.6 0.7 HB3 A:ALA33 3.7 7.8 1.0 CZ A:PHE57 3.9 16.1 1.0 H A:ASP76 3.9 7.8 1.0 CB A:ASP76 3.9 8.6 1.0 C01 A:IQH201 3.9 16.0 0.3 C05 A:IQH201 4.0 14.1 0.3 N A:ASP76 4.0 8.3 1.0 C02 A:IQH201 4.0 10.1 0.7 CB A:ALA75 4.1 7.9 1.0 HG22 A:THR29 4.2 8.8 1.0 HA A:ASP76 4.2 8.8 1.0 O A:HOH450 4.3 22.8 1.0 CD2 A:PHE57 4.3 13.8 1.0 C A:ALA75 4.3 8.3 1.0 CA A:ASP76 4.3 8.6 1.0 HD2 A:PHE57 4.4 13.9 1.0 HB1 A:ALA75 4.4 8.0 1.0 SD A:MET20 4.4 6.5 1.0 HZ A:PHE16 4.4 8.8 1.0 C06 A:IQH201 4.4 13.8 0.3 HB2 A:ASP76 4.5 8.7 1.0 OD1 A:ASP76 4.6 7.8 1.0 HG23 A:THR29 4.6 8.3 1.0 HB2 A:ALA75 4.6 8.0 1.0 CG A:ASP76 4.7 7.8 1.0 HG11 A:VAL25 4.7 7.5 1.0 HG21 A:VAL25 4.7 7.5 1.0 HE2 A:PHE16 4.7 8.7 1.0 CL17 A:IQH201 4.7 11.0 0.7 H20 A:IQH201 4.7 13.7 0.3 CG2 A:THR29 4.8 9.1 1.0 CA A:ALA75 4.8 8.0 1.0 O A:ALA75 4.8 10.3 1.0 CA A:ALA33 4.8 6.9 1.0 HG21 A:THR29 4.8 8.6 1.0 HG2 A:MET20 4.9 6.8 1.0 HA A:ALA33 4.9 6.8 1.0 H18 A:IQH201 5.0 10.7 0.7 C07 A:IQH201 5.0 12.6 0.7 H23 A:IQH201 5.0 11.5 0.7

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