Chlorine in PDB 7fzz: Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide

The structure of Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide, PDB code: 7fzz 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)	37.45 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.448, 53.902, 74.923, 90, 90, 90
R / Rfree (%)	13.4 / 15.5

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide (pdb code 7fzz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide, PDB code: 7fzz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide


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-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:21.7 occ:0.50 CL17 A:WIF201 0.0 21.7 0.5 CL17 A:WIF201 0.4 31.3 0.5 C14 A:WIF201 1.8 16.0 0.5 C14 A:WIF201 1.9 16.6 0.5 C16 A:WIF201 2.8 16.3 0.5 C11 A:WIF201 2.8 12.6 0.5 C11 A:WIF201 2.9 15.6 0.5 C16 A:WIF201 2.9 16.4 0.5 O12 A:WIF201 3.1 18.8 0.5 S7 A:WIF201 3.1 13.4 0.5 O12 A:WIF201 3.1 13.7 0.5 O13 A:WIF201 3.2 16.4 0.5 O13 A:WIF201 3.2 20.7 0.5 S7 A:WIF201 3.2 16.2 0.5 O A:HOH374 3.8 25.7 1.0 SG A:CYS117 3.8 12.9 1.0 C15 A:WIF201 4.1 13.1 0.5 CD1 A:ILE104 4.1 14.4 1.0 C19 A:WIF201 4.1 15.9 0.5 O A:HOH419 4.2 14.3 1.0 C15 A:WIF201 4.2 15.3 0.5 C19 A:WIF201 4.2 16.0 0.5 O A:HOH430 4.5 23.6 1.0 C18 A:WIF201 4.6 13.2 0.5 CE1 A:PHE16 4.7 13.6 1.0 N3 A:WIF201 4.7 10.2 0.5 C18 A:WIF201 4.8 15.8 0.5 N3 A:WIF201 4.8 13.1 0.5 CG1 A:ILE104 4.8 9.5 1.0 CZ A:PHE16 4.8 13.6 1.0 O A:HOH376 4.9 10.9 1.0 CG2 A:ILE104 4.9 10.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide


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-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:31.3 occ:0.50 CL17 A:WIF201 0.0 31.3 0.5 CL17 A:WIF201 0.4 21.7 0.5 C14 A:WIF201 1.7 16.0 0.5 C14 A:WIF201 1.8 16.6 0.5 C16 A:WIF201 2.5 16.3 0.5 C16 A:WIF201 2.7 16.4 0.5 C11 A:WIF201 2.8 15.6 0.5 C11 A:WIF201 2.8 12.6 0.5 S7 A:WIF201 3.2 13.4 0.5 O13 A:WIF201 3.2 16.4 0.5 O13 A:WIF201 3.4 20.7 0.5 O12 A:WIF201 3.4 13.7 0.5 S7 A:WIF201 3.4 16.2 0.5 O12 A:WIF201 3.4 18.8 0.5 O A:HOH419 3.7 14.3 1.0 CD1 A:ILE104 3.8 14.4 1.0 C19 A:WIF201 3.9 15.9 0.5 SG A:CYS117 4.0 12.9 1.0 C19 A:WIF201 4.0 16.0 0.5 C15 A:WIF201 4.0 13.1 0.5 C15 A:WIF201 4.1 15.3 0.5 O A:HOH374 4.2 25.7 1.0 O A:HOH376 4.5 10.9 1.0 C18 A:WIF201 4.5 13.2 0.5 C18 A:WIF201 4.6 15.8 0.5 CG1 A:ILE104 4.6 9.5 1.0 O A:HOH430 4.7 23.6 1.0 N3 A:WIF201 4.8 10.2 0.5 CE1 A:PHE16 4.8 13.6 1.0 O A:HOH399 4.9 20.4 1.0 CG2 A:ILE104 4.9 10.2 1.0 N3 A:WIF201 5.0 13.1 0.5 CZ A:PHE16 5.0 13.6 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.1 occ:0.50 CL21 A:WIF201 0.0 18.1 0.5 CL21 A:WIF201 0.2 18.5 0.5 C19 A:WIF201 1.6 16.0 0.5 C19 A:WIF201 1.7 15.9 0.5 C16 A:WIF201 2.6 16.4 0.5 C18 A:WIF201 2.6 15.8 0.5 C18 A:WIF201 2.7 13.2 0.5 C16 A:WIF201 2.8 16.3 0.5 C20 A:WIF201 3.0 21.6 0.5 C20 A:WIF201 3.1 16.6 0.5 NH2 A:ARG78 3.5 9.9 1.0 OD1 A:ASP76 3.7 11.2 1.0 C15 A:WIF201 3.8 15.3 0.5 C14 A:WIF201 3.8 16.6 0.5 O A:HOH376 3.9 10.9 1.0 C15 A:WIF201 4.0 13.1 0.5 CE2 A:TYR19 4.0 7.9 1.0 C14 A:WIF201 4.1 16.0 0.5 CG A:MET20 4.1 7.9 1.0 CG A:ASP76 4.1 10.7 1.0 CG2 A:VAL25 4.1 9.6 1.0 C11 A:WIF201 4.3 15.6 0.5 OD2 A:ASP76 4.4 12.2 1.0 CG1 A:VAL23 4.5 12.5 1.0 CZ A:ARG78 4.6 9.8 1.0 C11 A:WIF201 4.6 12.6 0.5 CD2 A:TYR19 4.6 8.0 1.0 CZ A:PHE16 4.7 13.6 1.0 SD A:MET20 4.8 8.9 1.0 CG2 A:VAL23 4.8 12.0 1.0 CB A:ASP76 4.9 11.2 1.0 CB A:VAL23 4.9 10.8 1.0 CZ A:TYR19 4.9 7.4 1.0 O A:HOH419 4.9 14.3 1.0 OH A:TYR19 4.9 8.4 1.0 CE1 A:PHE16 5.0 13.6 1.0 CB A:MET20 5.0 7.6 1.0 NE A:ARG78 5.0 10.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human FABP4 in Complex with 3-[(2,4-Dichloro-5- Methylphenyl)Sulfonylamino]Thiophene-2-Carboxamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.5 occ:0.50 CL21 A:WIF201 0.0 18.5 0.5 CL21 A:WIF201 0.2 18.1 0.5 C19 A:WIF201 1.7 16.0 0.5 C19 A:WIF201 1.9 15.9 0.5 C16 A:WIF201 2.6 16.4 0.5 C18 A:WIF201 2.7 15.8 0.5 C16 A:WIF201 2.8 16.3 0.5 C18 A:WIF201 2.8 13.2 0.5 C20 A:WIF201 3.1 21.6 0.5 C20 A:WIF201 3.2 16.6 0.5 NH2 A:ARG78 3.6 9.9 1.0 OD1 A:ASP76 3.8 11.2 1.0 CE2 A:TYR19 3.9 7.9 1.0 CG A:MET20 3.9 7.9 1.0 C14 A:WIF201 3.9 16.6 0.5 O A:HOH376 4.0 10.9 1.0 C15 A:WIF201 4.0 15.3 0.5 CG2 A:VAL25 4.0 9.6 1.0 C15 A:WIF201 4.1 13.1 0.5 C14 A:WIF201 4.2 16.0 0.5 CG A:ASP76 4.2 10.7 1.0 C11 A:WIF201 4.4 15.6 0.5 CG1 A:VAL23 4.5 12.5 1.0 OD2 A:ASP76 4.5 12.2 1.0 CD2 A:TYR19 4.5 8.0 1.0 CZ A:ARG78 4.6 9.8 1.0 SD A:MET20 4.7 8.9 1.0 CZ A:PHE16 4.7 13.6 1.0 C11 A:WIF201 4.7 12.6 0.5 CG2 A:VAL23 4.7 12.0 1.0 CB A:VAL23 4.8 10.8 1.0 CB A:MET20 4.8 7.6 1.0 CZ A:TYR19 4.8 7.4 1.0 CA A:MET20 4.8 7.2 1.0 OH A:TYR19 4.9 8.4 1.0 CE1 A:PHE16 4.9 13.6 1.0 CB A:ASP76 4.9 11.2 1.0

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