Chlorine in PDB 7fz7: Crystal Structure of Human FABP4 in Complex with 2-[2-[(2- Chlorophenyl)Methyl]-1-Hydroxycyclohexyl]Acetic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 2-[2-[(2- Chlorophenyl)Methyl]-1-Hydroxycyclohexyl]Acetic Acid, PDB code: 7fz7 was solved by A.Ehler, J.Benz, U.Obst, P.Dostert, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.73 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.328, 53.8, 75.117, 90, 90, 90
R / Rfree (%)	13.6 / 16

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 2-[2-[(2- Chlorophenyl)Methyl]-1-Hydroxycyclohexyl]Acetic Acid (pdb code 7fz7). 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-[(2- Chlorophenyl)Methyl]-1-Hydroxycyclohexyl]Acetic Acid, PDB code: 7fz7:
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-[(2- Chlorophenyl)Methyl]-1-Hydroxycyclohexyl]Acetic 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-[(2- Chlorophenyl)Methyl]-1-Hydroxycyclohexyl]Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.3 occ:0.70 CL17 A:WED201 0.0 18.3 0.7 H35 A:WED201 0.4 11.8 0.3 C15 A:WED201 1.3 13.2 0.3 C14 A:WED201 1.7 15.1 0.7 C18 A:WED201 2.2 18.0 0.3 H37 A:WED201 2.4 14.6 0.3 C10 A:WED201 2.5 15.1 0.3 C16 A:WED201 2.7 14.0 0.7 H27 A:WED201 2.7 14.8 0.7 C10 A:WED201 2.8 14.6 0.7 H36 A:WED201 2.8 15.9 0.7 H27 A:WED201 2.8 15.5 0.3 H20 A:WED201 2.9 16.0 0.3 H20 A:WED201 3.0 15.7 0.7 C6 A:WED201 3.1 15.0 0.3 C6 A:WED201 3.1 13.6 0.7 HZ A:PHE16 3.1 13.5 1.0 HB3 A:ALA75 3.3 13.4 1.0 C2 A:WED201 3.5 16.4 0.3 C19 A:WED201 3.6 17.4 0.3 C2 A:WED201 3.6 15.1 0.7 HB1 A:ALA33 3.6 12.1 1.0 O A:HOH362 3.6 21.9 1.0 HD2 A:PHE57 3.6 17.8 1.0 C14 A:WED201 3.7 21.1 0.3 HB1 A:ALA75 3.7 13.3 1.0 HE2 A:PHE57 3.7 18.4 1.0 CB A:ALA75 3.8 13.0 1.0 HB2 A:ALA75 3.9 13.1 1.0 C19 A:WED201 3.9 17.4 0.7 HE2 A:PHE16 4.0 14.4 1.0 CZ A:PHE16 4.0 16.0 1.0 C15 A:WED201 4.1 17.4 0.7 O13 A:WED201 4.1 22.1 0.7 H26 A:WED201 4.1 15.4 0.3 H26 A:WED201 4.1 14.6 0.7 O5 A:WED201 4.1 21.7 0.3 C16 A:WED201 4.2 14.5 0.3 O5 A:WED201 4.2 20.4 0.7 CD2 A:PHE57 4.2 18.4 1.0 CE2 A:PHE57 4.3 19.9 1.0 H38 A:WED201 4.4 16.3 0.3 CE2 A:PHE16 4.4 15.8 1.0 C1 A:WED201 4.4 18.3 0.3 CB A:ALA33 4.5 12.5 1.0 C1 A:WED201 4.5 17.8 0.7 C18 A:WED201 4.5 17.0 0.7 O A:HOH359 4.6 18.8 1.0 H28 A:WED201 4.6 16.2 0.7 HB2 A:ALA33 4.6 12.4 1.0 H28 A:WED201 4.7 16.8 0.3 H25 A:WED201 4.7 21.5 0.3 C7 A:WED201 4.7 16.7 0.3 C7 A:WED201 4.7 15.7 0.7 H38 A:WED201 4.8 16.6 0.7 O A:HOH385 4.8 17.2 1.0 H23 A:WED201 4.9 20.2 0.3 H35 A:WED201 4.9 18.5 0.7

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 2-[2-[(2- Chlorophenyl)Methyl]-1-Hydroxycyclohexyl]Acetic 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-[(2- Chlorophenyl)Methyl]-1-Hydroxycyclohexyl]Acetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:35.1 occ:0.30 CL17 A:WED201 0.0 35.1 0.3 H35 A:WED201 0.3 18.5 0.7 C15 A:WED201 1.2 17.4 0.7 C14 A:WED201 1.7 21.1 0.3 C18 A:WED201 2.1 17.0 0.7 H37 A:WED201 2.3 15.9 0.7 C10 A:WED201 2.4 14.6 0.7 HH22 A:ARG78 2.5 10.9 1.0 H26 A:WED201 2.6 15.4 0.3 HH21 A:ARG78 2.6 10.8 1.0 C16 A:WED201 2.7 14.5 0.3 O A:HOH345 2.7 12.5 1.0 C10 A:WED201 2.7 15.1 0.3 H28 A:WED201 2.7 16.8 0.3 H32 A:WED201 2.7 16.9 0.3 H26 A:WED201 2.8 14.6 0.7 H36 A:WED201 2.8 16.5 0.3 H32 A:WED201 2.8 17.1 0.7 H28 A:WED201 2.9 16.2 0.7 NH2 A:ARG78 2.9 10.5 1.0 C6 A:WED201 3.1 15.0 0.3 C6 A:WED201 3.1 13.6 0.7 HE2 A:TYR19 3.3 9.5 1.0 C7 A:WED201 3.4 16.7 0.3 C19 A:WED201 3.4 17.4 0.7 C11 A:WED201 3.5 16.9 0.3 C7 A:WED201 3.5 15.7 0.7 C11 A:WED201 3.6 16.6 0.7 O A:HOH410 3.6 14.6 1.0 C14 A:WED201 3.6 15.1 0.7 OD1 A:ASP76 3.7 12.1 1.0 C2 A:WED201 3.8 16.4 0.3 H33 A:WED201 3.8 17.1 0.3 H33 A:WED201 3.9 16.7 0.7 C2 A:WED201 3.9 15.1 0.7 C19 A:WED201 3.9 17.4 0.3 C15 A:WED201 4.0 13.2 0.3 H27 A:WED201 4.0 14.8 0.7 C16 A:WED201 4.0 14.0 0.7 HB A:THR74 4.0 11.1 1.0 H27 A:WED201 4.0 15.5 0.3 CZ A:ARG78 4.2 11.0 1.0 CE2 A:TYR19 4.2 9.8 1.0 H38 A:WED201 4.2 16.6 0.7 H20 A:WED201 4.3 16.0 0.3 H29 A:WED201 4.4 16.5 0.3 HG11 A:VAL23 4.4 16.1 1.0 C18 A:WED201 4.5 18.0 0.3 OH A:TYR19 4.5 10.2 1.0 H20 A:WED201 4.5 15.7 0.7 H29 A:WED201 4.5 15.6 0.7 CG A:ASP76 4.5 12.1 1.0 HG21 A:THR74 4.7 10.5 1.0 H21 A:WED201 4.7 17.0 0.7 HE A:ARG78 4.7 11.7 1.0 HG21 A:VAL23 4.7 14.1 1.0 H21 A:WED201 4.7 18.3 0.3 HH12 A:ARG78 4.7 10.9 1.0 H A:ASP76 4.8 12.4 1.0 H38 A:WED201 4.8 16.3 0.3 O A:HOH407 4.8 13.5 1.0 HH A:TYR19 4.8 10.0 1.0 HG1 A:THR74 4.8 11.3 1.0 C8 A:WED201 4.8 18.2 0.3 HZ A:PHE16 4.8 13.5 1.0 HB3 A:ALA75 4.8 13.4 1.0 CZ A:TYR19 4.8 9.2 1.0 H35 A:WED201 4.8 11.8 0.3 CB A:THR74 4.9 10.3 1.0 H A:ALA75 4.9 12.2 1.0 C8 A:WED201 4.9 17.4 0.7 HD11 A:ILE104 4.9 14.8 1.0 NH1 A:ARG78 4.9 10.9 1.0 NE A:ARG78 4.9 12.1 1.0 HG2 A:MET20 4.9 9.6 1.0 HE1 A:PHE16 5.0 14.6 1.0 OD2 A:ASP76 5.0 12.8 1.0

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