Chlorine in PDB 7fzd: Crystal Structure of Human FABP4 in Complex with 3-(4-Chlorophenyl)-4, 5,6,6A-Tetrahydro-3AH-Cyclopenta[D][1,2]Oxazole-5-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 3-(4-Chlorophenyl)-4, 5,6,6A-Tetrahydro-3AH-Cyclopenta[D][1,2]Oxazole-5-Carboxylic Acid, PDB code: 7fzd was solved by A.Ehler, J.Benz, U.Obst, R.Canesso, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.56 / 1.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.364, 53.865, 75.114, 90, 90, 90
R / Rfree (%)	13.3 / 16

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 3-(4-Chlorophenyl)-4, 5,6,6A-Tetrahydro-3AH-Cyclopenta[D][1,2]Oxazole-5-Carboxylic Acid (pdb code 7fzd). 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-(4-Chlorophenyl)-4, 5,6,6A-Tetrahydro-3AH-Cyclopenta[D][1,2]Oxazole-5-Carboxylic Acid, PDB code: 7fzd:
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-(4-Chlorophenyl)-4, 5,6,6A-Tetrahydro-3AH-Cyclopenta[D][1,2]Oxazole-5-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 3-(4-Chlorophenyl)-4, 5,6,6A-Tetrahydro-3AH-Cyclopenta[D][1,2]Oxazole-5-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:14.3 occ:0.50 CL18 A:WFC201 0.0 14.3 0.5 CL18 A:WFK204 0.1 22.8 0.5 C17 A:WFC201 1.7 10.0 0.5 C17 A:WFK204 1.7 18.8 0.5 C14 A:WFK204 2.7 20.2 0.5 C14 A:WFC201 2.7 10.9 0.5 HB3 A:ASP76 2.7 12.1 1.0 C13 A:WFC201 2.7 16.0 0.5 C13 A:WFK204 2.7 17.7 0.5 H29 A:WFK204 2.8 19.8 0.5 H29 A:WFC201 2.8 10.9 0.5 H28 A:WFC201 2.8 14.3 0.5 H28 A:WFK204 2.9 17.9 0.5 HG22 A:THR29 3.3 10.5 1.0 HB2 A:ALA33 3.3 9.9 1.0 HB1 A:ALA33 3.4 9.7 1.0 HG11 A:VAL25 3.4 9.4 1.0 HE2 A:PHE57 3.5 19.6 1.0 HG21 A:VAL25 3.5 9.4 1.0 HB3 A:ALA33 3.6 9.9 1.0 CB A:ALA33 3.6 10.1 1.0 CB A:ASP76 3.6 11.9 1.0 SD A:MET20 3.7 10.1 1.0 HB3 A:ALA75 3.8 13.1 1.0 C11 A:WFK204 3.9 21.6 0.5 C11 A:WFC201 4.0 10.0 0.5 C10 A:WFC201 4.0 16.7 0.5 CG2 A:THR29 4.0 10.6 1.0 C10 A:WFK204 4.0 19.0 0.5 HZ A:PHE57 4.0 20.0 1.0 HG23 A:THR29 4.0 10.0 1.0 HG2 A:MET20 4.1 8.5 1.0 H A:ASP76 4.1 11.8 1.0 HG21 A:THR29 4.1 10.4 1.0 CE2 A:PHE57 4.1 22.1 1.0 N A:ASP76 4.1 12.1 1.0 HB2 A:ASP76 4.2 12.2 1.0 HA A:ASP76 4.2 12.7 1.0 CG A:ASP76 4.3 11.2 1.0 CG1 A:VAL25 4.3 9.8 1.0 HG13 A:VAL25 4.3 9.5 1.0 CA A:ASP76 4.3 12.9 1.0 OD1 A:ASP76 4.3 11.2 1.0 CG2 A:VAL25 4.4 9.6 1.0 CZ A:PHE57 4.4 20.9 1.0 C05 A:WFK204 4.5 19.6 0.5 C05 A:WFC201 4.5 13.7 0.5 CG A:MET20 4.5 8.7 1.0 HB1 A:ALA75 4.6 13.2 1.0 CB A:ALA75 4.6 13.3 1.0 HG22 A:VAL25 4.6 9.5 1.0 HZ A:PHE16 4.6 14.8 1.0 C A:ALA75 4.6 12.5 1.0 H27 A:WFC201 4.7 11.1 0.5 H26 A:WFC201 4.7 14.8 0.5 H27 A:WFK204 4.8 20.0 0.5 H26 A:WFK204 4.8 18.4 0.5 HE2 A:PHE16 4.9 15.8 1.0 O A:THR29 4.9 8.6 1.0 HG12 A:VAL25 4.9 9.6 1.0 HA A:ARG30 5.0 8.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 3-(4-Chlorophenyl)-4, 5,6,6A-Tetrahydro-3AH-Cyclopenta[D][1,2]Oxazole-5-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 3-(4-Chlorophenyl)-4, 5,6,6A-Tetrahydro-3AH-Cyclopenta[D][1,2]Oxazole-5-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:22.8 occ:0.50 CL18 A:WFK204 0.0 22.8 0.5 CL18 A:WFC201 0.1 14.3 0.5 C17 A:WFC201 1.7 10.0 0.5 C17 A:WFK204 1.7 18.8 0.5 C14 A:WFC201 2.7 10.9 0.5 C14 A:WFK204 2.7 20.2 0.5 HB3 A:ASP76 2.7 12.1 1.0 C13 A:WFK204 2.7 17.7 0.5 C13 A:WFC201 2.7 16.0 0.5 H29 A:WFC201 2.8 10.9 0.5 H29 A:WFK204 2.8 19.8 0.5 H28 A:WFC201 2.9 14.3 0.5 H28 A:WFK204 2.9 17.9 0.5 HG22 A:THR29 3.3 10.5 1.0 HB2 A:ALA33 3.3 9.9 1.0 HB1 A:ALA33 3.3 9.7 1.0 HE2 A:PHE57 3.5 19.6 1.0 HG11 A:VAL25 3.5 9.4 1.0 HG21 A:VAL25 3.6 9.4 1.0 HB3 A:ALA33 3.6 9.9 1.0 CB A:ALA33 3.6 10.1 1.0 CB A:ASP76 3.7 11.9 1.0 SD A:MET20 3.7 10.1 1.0 HB3 A:ALA75 3.8 13.1 1.0 C11 A:WFC201 3.9 10.0 0.5 C11 A:WFK204 4.0 21.6 0.5 C10 A:WFK204 4.0 19.0 0.5 CG2 A:THR29 4.0 10.6 1.0 C10 A:WFC201 4.0 16.7 0.5 HZ A:PHE57 4.0 20.0 1.0 HG23 A:THR29 4.0 10.0 1.0 H A:ASP76 4.1 11.8 1.0 HG21 A:THR29 4.1 10.4 1.0 CE2 A:PHE57 4.1 22.1 1.0 HG2 A:MET20 4.1 8.5 1.0 N A:ASP76 4.1 12.1 1.0 HB2 A:ASP76 4.2 12.2 1.0 HA A:ASP76 4.2 12.7 1.0 CG A:ASP76 4.3 11.2 1.0 CA A:ASP76 4.3 12.9 1.0 CG1 A:VAL25 4.3 9.8 1.0 HG13 A:VAL25 4.3 9.5 1.0 OD1 A:ASP76 4.3 11.2 1.0 CZ A:PHE57 4.4 20.9 1.0 CG2 A:VAL25 4.5 9.6 1.0 C05 A:WFC201 4.5 13.7 0.5 C05 A:WFK204 4.5 19.6 0.5 HB1 A:ALA75 4.5 13.2 1.0 CB A:ALA75 4.6 13.3 1.0 CG A:MET20 4.6 8.7 1.0 C A:ALA75 4.6 12.5 1.0 HZ A:PHE16 4.6 14.8 1.0 HG22 A:VAL25 4.7 9.5 1.0 H27 A:WFC201 4.7 11.1 0.5 H26 A:WFC201 4.7 14.8 0.5 H27 A:WFK204 4.8 20.0 0.5 H26 A:WFK204 4.8 18.4 0.5 O A:THR29 4.9 8.6 1.0 HE2 A:PHE16 4.9 15.8 1.0 HG12 A:VAL25 5.0 9.6 1.0 HA A:ARG30 5.0 8.2 1.0

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