Chlorine in PDB 7fxi: Crystal Structure of Human FABP4 in Complex with Rac-(1R,3S)-2,2- Dimethyl-3-[(2-Phenylphenyl)Carbamoyl]Cyclopropane-1-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 in Complex with Rac-(1R,3S)-2,2- Dimethyl-3-[(2-Phenylphenyl)Carbamoyl]Cyclopropane-1-Carboxylic Acid, PDB code: 7fxi 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)	37.01 / 1.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.816, 55.013, 74.013, 90, 90, 90
R / Rfree (%)	20.9 / 23.4

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with Rac-(1R,3S)-2,2- Dimethyl-3-[(2-Phenylphenyl)Carbamoyl]Cyclopropane-1-Carboxylic Acid (pdb code 7fxi). 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 Rac-(1R,3S)-2,2- Dimethyl-3-[(2-Phenylphenyl)Carbamoyl]Cyclopropane-1-Carboxylic Acid, PDB code: 7fxi:
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 Rac-(1R,3S)-2,2- Dimethyl-3-[(2-Phenylphenyl)Carbamoyl]Cyclopropane-1-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 Rac-(1R,3S)-2,2- Dimethyl-3-[(2-Phenylphenyl)Carbamoyl]Cyclopropane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:59.2 occ:1.00 N A:GLY26 3.3 31.9 1.0 O A:HOH377 3.3 36.0 1.0 O A:HOH358 3.5 40.6 1.0 OG1 A:THR29 3.8 37.7 1.0 CA A:GLY26 3.9 30.3 1.0 CB A:THR29 4.1 35.1 1.0 C A:VAL25 4.3 30.9 1.0 CA A:VAL25 4.4 30.4 1.0 O A:GLY24 4.5 35.2 1.0 CG2 A:THR29 4.7 33.7 1.0 CG1 A:VAL25 4.7 31.6 1.0 C A:GLY26 4.8 29.7 1.0 O A:GLY26 4.9 29.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with Rac-(1R,3S)-2,2- Dimethyl-3-[(2-Phenylphenyl)Carbamoyl]Cyclopropane-1-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 Rac-(1R,3S)-2,2- Dimethyl-3-[(2-Phenylphenyl)Carbamoyl]Cyclopropane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:62.0 occ:1.00 O A:HOH382 3.2 43.2 1.0 N A:ASN59 3.4 23.4 1.0 NZ A:LYS58 3.7 44.9 1.0 ND2 A:ASN59 3.9 34.2 1.0 CB A:ASN59 4.0 26.7 1.0 CG A:ASN59 4.1 27.6 1.0 CA A:LYS58 4.2 28.1 1.0 CA A:ASN59 4.3 24.9 1.0 C A:LYS58 4.3 27.2 1.0 O A:ASN59 4.3 29.8 1.0 CD A:LYS58 4.4 38.4 1.0 CG A:LYS58 4.4 33.4 1.0 CE A:LYS58 4.7 44.4 1.0 C A:ASN59 4.8 26.1 1.0 CB A:LYS58 4.9 32.5 1.0 OD1 A:ASN59 4.9 25.5 1.0

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