Chlorine in PDB 7fyo: Crystal Structure of Human FABP4 in Complex with 5-(3,5- Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid

The structure of Crystal Structure of Human FABP4 in Complex with 5-(3,5- Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid, PDB code: 7fyo was solved by A.Ehler, J.Benz, U.Obst, M.Brunner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.48 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.262, 53.922, 74.946, 90, 90, 90
R / Rfree (%)	13.6 / 15.7

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 5-(3,5- Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid (pdb code 7fyo). 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 5-(3,5- Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid, PDB code: 7fyo:
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 5-(3,5- Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic 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 5-(3,5- Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.5 occ:1.00 CL15 A:W90201 0.0 18.5 1.0 C08 A:W90201 1.7 15.2 1.0 C10 A:W90201 2.6 14.5 1.0 C07 A:W90201 2.6 16.9 1.0 CB A:ALA33 3.4 12.7 1.0 CE2 A:PHE57 3.7 24.3 1.0 CB A:ASP76 3.9 14.6 1.0 C02 A:W90201 3.9 18.0 1.0 C09 A:W90201 3.9 14.9 1.0 N A:ASP76 4.0 15.0 1.0 CG2 A:THR29 4.0 13.7 1.0 CB A:ALA75 4.1 16.4 1.0 SD A:MET20 4.1 11.0 1.0 C A:ALA75 4.2 15.5 1.0 CA A:ASP76 4.3 15.7 1.0 CZ A:PHE57 4.4 26.4 1.0 C06 A:W90201 4.4 17.4 1.0 CG A:ASP76 4.6 14.1 1.0 CD2 A:PHE57 4.6 21.4 1.0 OD1 A:ASP76 4.6 14.7 1.0 O A:ALA75 4.6 18.3 1.0 CA A:ALA75 4.8 15.2 1.0 CA A:ALA33 4.9 11.9 1.0 O A:HOH431 4.9 23.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 5-(3,5- Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic 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 5-(3,5- Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:16.4 occ:1.00 CL16 A:W90201 0.0 16.4 1.0 C09 A:W90201 1.7 14.9 1.0 C06 A:W90201 2.6 17.4 1.0 C10 A:W90201 2.7 14.5 1.0 NH2 A:ARG78 3.5 13.2 1.0 CG1 A:VAL23 3.6 13.1 1.0 CG2 A:VAL25 3.7 12.3 1.0 CE2 A:TYR19 3.8 9.7 1.0 CB A:VAL23 3.8 10.7 1.0 C02 A:W90201 3.9 18.0 1.0 CG2 A:VAL23 3.9 11.9 1.0 O A:HOH375 3.9 14.0 1.0 C08 A:W90201 4.0 15.2 1.0 CG A:MET20 4.0 10.2 1.0 OD1 A:ASP76 4.1 14.7 1.0 OD2 A:ASP76 4.1 15.2 1.0 CG A:ASP76 4.2 14.1 1.0 CZ A:ARG78 4.2 12.5 1.0 CA A:MET20 4.3 9.4 1.0 CD2 A:TYR19 4.3 9.3 1.0 C07 A:W90201 4.4 16.9 1.0 CZ A:TYR19 4.5 9.7 1.0 CB A:MET20 4.5 9.8 1.0 NE A:ARG78 4.6 12.9 1.0 OH A:TYR19 4.6 10.1 1.0 N03 A:W90201 4.9 21.3 1.0 SD A:MET20 5.0 11.0 1.0

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