Chlorine in PDB 7g0k: Crystal Structure of Human FABP4 in Complex with (2R)-1-[(3,5- Dichloro-2-Phenylphenyl)Carbamoyl]Pyrrolidine-2-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with (2R)-1-[(3,5- Dichloro-2-Phenylphenyl)Carbamoyl]Pyrrolidine-2-Carboxylic Acid, PDB code: 7g0k 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)	43.88 / 1.13
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.538, 53.966, 75.359, 90, 90, 90
R / Rfree (%)	13.4 / 15.8

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with (2R)-1-[(3,5- Dichloro-2-Phenylphenyl)Carbamoyl]Pyrrolidine-2-Carboxylic Acid (pdb code 7g0k). 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 (2R)-1-[(3,5- Dichloro-2-Phenylphenyl)Carbamoyl]Pyrrolidine-2-Carboxylic Acid, PDB code: 7g0k:
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 (2R)-1-[(3,5- Dichloro-2-Phenylphenyl)Carbamoyl]Pyrrolidine-2-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 (2R)-1-[(3,5- Dichloro-2-Phenylphenyl)Carbamoyl]Pyrrolidine-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:17.1 occ:1.00 CL7 A:UOF203 0.0 17.1 1.0 C5 A:UOF203 1.7 14.0 1.0 C4 A:UOF203 2.6 13.8 1.0 C6 A:UOF203 2.8 12.1 1.0 C9 A:UOF203 3.1 11.1 1.0 CB A:ALA33 3.4 12.5 1.0 C14 A:UOF203 3.4 12.4 1.0 CE2 A:PHE57 3.6 21.9 1.0 C3 A:UOF203 3.9 13.5 1.0 CB A:ASP76 3.9 15.3 1.0 C1 A:UOF203 4.0 12.2 1.0 C10 A:UOF203 4.0 12.9 1.0 CG2 A:THR29 4.1 12.8 1.0 SD A:MET20 4.1 11.2 1.0 CZ A:PHE57 4.2 23.1 1.0 N A:ASP76 4.2 13.7 1.0 CB A:ALA75 4.4 15.5 1.0 CD2 A:PHE57 4.4 19.1 1.0 C13 A:UOF203 4.4 13.2 1.0 CA A:ASP76 4.4 14.2 1.0 C2 A:UOF203 4.5 13.3 1.0 O A:HOH444 4.5 18.5 1.0 C A:ALA75 4.6 13.8 1.0 CG A:ASP76 4.6 15.0 1.0 OD1 A:ASP76 4.7 14.7 1.0 CA A:ALA33 4.8 11.3 1.0 C11 A:UOF203 4.9 13.7 1.0 O A:ALA75 4.9 15.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with (2R)-1-[(3,5- Dichloro-2-Phenylphenyl)Carbamoyl]Pyrrolidine-2-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 (2R)-1-[(3,5- Dichloro-2-Phenylphenyl)Carbamoyl]Pyrrolidine-2-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:15.5 occ:1.00 CL8 A:UOF203 0.0 15.5 1.0 C3 A:UOF203 1.7 13.5 1.0 C4 A:UOF203 2.6 13.8 1.0 C2 A:UOF203 2.7 13.3 1.0 NH2 A:ARG78 3.5 13.5 1.0 CE2 A:TYR19 3.7 9.4 1.0 CG1 A:VAL23 3.8 11.7 1.0 CG2 A:VAL25 3.8 10.6 1.0 O A:HOH402 3.9 15.0 1.0 C5 A:UOF203 3.9 14.0 1.0 OD1 A:ASP76 4.0 14.7 1.0 C1 A:UOF203 4.0 12.2 1.0 CG2 A:VAL23 4.0 10.7 1.0 CB A:VAL23 4.1 10.4 1.0 CG A:MET20 4.1 10.3 1.0 OD2 A:ASP76 4.2 15.7 1.0 CG A:ASP76 4.2 15.0 1.0 CZ A:ARG78 4.3 13.5 1.0 CD2 A:TYR19 4.3 9.1 1.0 CZ A:TYR19 4.5 8.9 1.0 CA A:MET20 4.5 9.2 1.0 C6 A:UOF203 4.5 12.1 1.0 OH A:TYR19 4.5 10.2 1.0 NE A:ARG78 4.6 13.2 1.0 CB A:MET20 4.7 9.9 1.0 O A:HOH444 4.8 18.5 1.0

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