Chlorine in PDB 7fwl: Crystal Structure of Human FABP4 in Complex with 5-[(3,4- Dichlorophenyl)Methyl]-1,1-Dioxo-1,2,5-Thiadiazolidin-3-One

The structure of Crystal Structure of Human FABP4 in Complex with 5-[(3,4- Dichlorophenyl)Methyl]-1,1-Dioxo-1,2,5-Thiadiazolidin-3-One, PDB code: 7fwl was solved by A.Ehler, J.Benz, U.Obst, U.Obst-Sander, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.52 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.466, 53.554, 74.641, 90, 90, 90
R / Rfree (%)	14.4 / 16.8

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 5-[(3,4- Dichlorophenyl)Methyl]-1,1-Dioxo-1,2,5-Thiadiazolidin-3-One (pdb code 7fwl). 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 5-[(3,4- Dichlorophenyl)Methyl]-1,1-Dioxo-1,2,5-Thiadiazolidin-3-One, PDB code: 7fwl:
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 5-[(3,4- Dichlorophenyl)Methyl]-1,1-Dioxo-1,2,5-Thiadiazolidin-3-One


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 5-[(3,4- Dichlorophenyl)Methyl]-1,1-Dioxo-1,2,5-Thiadiazolidin-3-One within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:19.0 occ:1.00 CL7 A:O6Q201 0.0 19.0 1.0 C4 A:O6Q201 1.7 13.5 1.0 C5 A:O6Q201 2.7 13.6 1.0 C3 A:O6Q201 2.7 13.0 1.0 CL8 A:O6Q201 3.2 16.9 1.0 SD A:MET20 3.6 10.9 1.0 CB A:ASP76 3.7 13.7 1.0 CB A:ALA33 3.9 12.9 1.0 C6 A:O6Q201 4.0 12.8 1.0 C2 A:O6Q201 4.0 13.4 1.0 OD1 A:ASP76 4.1 13.1 1.0 N A:ASP76 4.1 13.2 1.0 CG A:ASP76 4.1 13.2 1.0 CE2 A:PHE57 4.2 28.0 1.0 CG A:MET20 4.4 9.4 1.0 CA A:ASP76 4.4 13.8 1.0 CB A:ALA75 4.4 14.3 1.0 C1 A:O6Q201 4.5 12.6 1.0 CZ A:PHE57 4.6 29.8 1.0 CG2 A:VAL25 4.6 11.7 1.0 CG2 A:THR29 4.7 15.0 1.0 C A:ALA75 4.7 13.5 1.0 CZ A:PHE16 4.7 15.0 1.0 CG1 A:VAL25 4.7 11.7 1.0 O A:HOH427 5.0 23.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 5-[(3,4- Dichlorophenyl)Methyl]-1,1-Dioxo-1,2,5-Thiadiazolidin-3-One


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 5-[(3,4- Dichlorophenyl)Methyl]-1,1-Dioxo-1,2,5-Thiadiazolidin-3-One within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:16.9 occ:1.00 CL8 A:O6Q201 0.0 16.9 1.0 C3 A:O6Q201 1.7 13.0 1.0 C2 A:O6Q201 2.7 13.4 1.0 C4 A:O6Q201 2.8 13.5 1.0 CL7 A:O6Q201 3.2 19.0 1.0 NH2 A:ARG78 3.5 11.6 1.0 OD1 A:ASP76 3.5 13.1 1.0 CG2 A:VAL25 3.8 11.7 1.0 CG A:ASP76 3.8 13.2 1.0 C1 A:O6Q201 3.9 12.6 1.0 CG A:MET20 4.0 9.4 1.0 C5 A:O6Q201 4.0 13.6 1.0 CE2 A:TYR19 4.1 9.4 1.0 OD2 A:ASP76 4.1 14.0 1.0 O A:HOH366 4.2 12.2 1.0 CG1 A:VAL23 4.4 14.3 1.0 C6 A:O6Q201 4.5 12.8 1.0 CZ A:ARG78 4.5 11.6 1.0 CB A:ASP76 4.6 13.7 1.0 SD A:MET20 4.6 10.9 1.0 CD2 A:TYR19 4.7 9.1 1.0 CB A:VAL23 4.7 12.7 1.0 CG2 A:VAL23 4.8 13.0 1.0 CB A:MET20 4.8 9.3 1.0 CA A:MET20 4.9 9.4 1.0 NE A:ARG78 4.9 12.9 1.0 CZ A:TYR19 5.0 9.4 1.0

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