Chlorine in PDB 7g1s: Crystal Structure of Human FABP4 in Complex with 3-(3,4- Dichlorophenyl)-3,7A-Dihydro-1H-Imidazo[1,5-C][1,3]Thiazole-5,7-Dione

The structure of Crystal Structure of Human FABP4 in Complex with 3-(3,4- Dichlorophenyl)-3,7A-Dihydro-1H-Imidazo[1,5-C][1,3]Thiazole-5,7-Dione, PDB code: 7g1s was solved by A.Ehler, J.Benz, U.Obst, P.Zeller, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.90 / 1.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.575, 53.988, 75.411, 90, 90, 90
R / Rfree (%)	14.6 / 17.4

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 3-(3,4- Dichlorophenyl)-3,7A-Dihydro-1H-Imidazo[1,5-C][1,3]Thiazole-5,7-Dione (pdb code 7g1s). 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-(3,4- Dichlorophenyl)-3,7A-Dihydro-1H-Imidazo[1,5-C][1,3]Thiazole-5,7-Dione, PDB code: 7g1s:
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-(3,4- Dichlorophenyl)-3,7A-Dihydro-1H-Imidazo[1,5-C][1,3]Thiazole-5,7-Dione


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-(3,4- Dichlorophenyl)-3,7A-Dihydro-1H-Imidazo[1,5-C][1,3]Thiazole-5,7-Dione within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:12.1 occ:1.00 CL17 A:WPU203 0.0 12.1 1.0 C14 A:WPU203 1.7 10.4 1.0 C16 A:WPU203 2.7 10.9 1.0 C11 A:WPU203 2.7 10.5 1.0 H24 A:WPU203 2.8 11.2 1.0 HH21 A:ARG78 3.0 8.3 1.0 HG2 A:MET20 3.1 7.7 1.0 HG21 A:VAL25 3.1 8.8 1.0 CL18 A:WPU203 3.2 13.8 1.0 HE2 A:TYR19 3.5 7.5 1.0 OD1 A:ASP76 3.5 9.6 1.0 NH2 A:ARG78 3.6 8.2 1.0 HG11 A:VAL23 3.7 11.6 1.0 HH22 A:ARG78 3.7 8.4 1.0 CG A:ASP76 3.7 9.5 1.0 HG23 A:VAL25 3.8 8.6 1.0 CG2 A:VAL25 3.8 8.5 1.0 HG22 A:VAL25 3.9 8.7 1.0 HB3 A:ASP76 4.0 10.8 1.0 C15 A:WPU203 4.0 12.6 1.0 OD2 A:ASP76 4.0 10.4 1.0 C5 A:WPU203 4.0 11.7 1.0 HG21 A:VAL23 4.0 11.7 1.0 HA A:MET20 4.1 7.5 1.0 CG A:MET20 4.1 7.6 1.0 HE A:ARG78 4.2 9.6 1.0 CE2 A:TYR19 4.3 7.7 1.0 HB A:VAL23 4.3 11.2 1.0 O A:HOH356 4.3 9.6 1.0 HZ A:PHE16 4.3 10.2 1.0 CG1 A:VAL23 4.4 11.7 1.0 CB A:ASP76 4.4 10.5 1.0 HG12 A:VAL23 4.4 11.5 1.0 C12 A:WPU203 4.5 13.6 1.0 HG3 A:MET20 4.5 7.9 1.0 HD2 A:TYR19 4.6 7.3 1.0 CZ A:ARG78 4.6 8.4 1.0 HE1 A:PHE16 4.7 11.3 1.0 CB A:VAL23 4.8 11.1 1.0 SD A:MET20 4.8 8.8 1.0 H A:ASP76 4.8 10.2 1.0 H26 A:WPU203 4.8 12.9 1.0 HB3 A:MET20 4.8 8.0 1.0 CG2 A:VAL23 4.8 11.9 1.0 CD2 A:TYR19 4.9 7.5 1.0 CB A:MET20 4.9 7.6 1.0 NE A:ARG78 4.9 9.9 1.0 CZ A:PHE16 4.9 11.3 1.0 CA A:MET20 4.9 7.5 1.0 HG11 A:VAL25 4.9 9.1 1.0 HB2 A:ASP76 5.0 11.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 3-(3,4- Dichlorophenyl)-3,7A-Dihydro-1H-Imidazo[1,5-C][1,3]Thiazole-5,7-Dione


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-(3,4- Dichlorophenyl)-3,7A-Dihydro-1H-Imidazo[1,5-C][1,3]Thiazole-5,7-Dione within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:13.8 occ:1.00 CL18 A:WPU203 0.0 13.8 1.0 C16 A:WPU203 1.7 10.9 1.0 C15 A:WPU203 2.7 12.6 1.0 C14 A:WPU203 2.7 10.4 1.0 H26 A:WPU203 2.8 12.9 1.0 HB3 A:ASP76 2.8 10.8 1.0 CL17 A:WPU203 3.2 12.1 1.0 HB1 A:ALA33 3.4 8.6 1.0 HG21 A:VAL25 3.5 8.8 1.0 SD A:MET20 3.6 8.8 1.0 HG2 A:MET20 3.7 7.7 1.0 HB2 A:ALA33 3.7 8.8 1.0 HB3 A:ALA33 3.7 8.7 1.0 HG11 A:VAL25 3.7 9.1 1.0 CB A:ASP76 3.8 10.5 1.0 CB A:ALA33 3.8 9.0 1.0 HG22 A:THR29 3.9 11.0 1.0 HE2 A:PHE57 3.9 16.2 1.0 HB3 A:ALA75 3.9 11.4 1.0 C12 A:WPU203 4.0 13.6 1.0 C11 A:WPU203 4.0 10.5 1.0 HZ A:PHE16 4.0 10.2 1.0 H A:ASP76 4.1 10.2 1.0 CG A:ASP76 4.2 9.5 1.0 OD1 A:ASP76 4.2 9.6 1.0 CG A:MET20 4.2 7.6 1.0 N A:ASP76 4.3 10.8 1.0 HB2 A:ASP76 4.3 11.0 1.0 CG2 A:VAL25 4.4 8.5 1.0 CA A:ASP76 4.5 10.9 1.0 CG1 A:VAL25 4.5 9.5 1.0 C5 A:WPU203 4.5 11.7 1.0 HG13 A:VAL25 4.5 9.3 1.0 HA A:ASP76 4.6 10.9 1.0 HG22 A:VAL25 4.6 8.7 1.0 HE2 A:PHE16 4.6 11.3 1.0 CG2 A:THR29 4.6 11.4 1.0 CE2 A:PHE57 4.6 17.4 1.0 CZ A:PHE16 4.7 11.3 1.0 HG23 A:THR29 4.7 10.8 1.0 HG21 A:THR29 4.7 10.9 1.0 CB A:ALA75 4.7 11.8 1.0 HB1 A:ALA75 4.7 11.3 1.0 H25 A:WPU203 4.8 13.8 1.0 HG3 A:MET20 4.8 7.9 1.0 H24 A:WPU203 4.9 11.2 1.0 C A:ALA75 4.9 10.7 1.0 CE2 A:PHE16 4.9 12.1 1.0 HG23 A:VAL25 5.0 8.6 1.0 HB3 A:MET20 5.0 8.0 1.0 OD2 A:ASP76 5.0 10.4 1.0

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