Chlorine in PDB 7fzt: Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorobenzoyl) Amino]Cyclohexane-1-Carboxylic Acid

The structure of Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorobenzoyl) Amino]Cyclohexane-1-Carboxylic Acid, PDB code: 7fzt was solved by A.Ehler, J.Benz, U.Obst, B.Buettelmann, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.71 / 1.40
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.02, 52.967, 72.208, 90, 90, 90
R / Rfree (%)	21.5 / 26.5

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorobenzoyl) Amino]Cyclohexane-1-Carboxylic Acid (pdb code 7fzt). 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 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorobenzoyl) Amino]Cyclohexane-1-Carboxylic Acid, PDB code: 7fzt:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorobenzoyl) Amino]Cyclohexane-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 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorobenzoyl) Amino]Cyclohexane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:42.3 occ:1.00 CL19 A:WHZ201 0.0 42.3 1.0 C16 A:WHZ201 1.7 36.6 1.0 C15 A:WHZ201 2.7 36.4 1.0 HG A:SER55 2.7 19.7 1.0 C17 A:WHZ201 2.7 36.5 1.0 H34 A:WHZ201 2.8 36.8 1.0 CL20 A:WHZ201 2.9 36.2 1.0 OG A:SER55 3.0 20.8 1.0 HB3 A:LYS58 3.0 21.3 1.0 C4 A:PG4204 3.2 35.3 0.5 HB1 A:ALA36 3.3 20.7 1.0 HB3 A:SER55 3.4 17.9 1.0 HG3 A:PRO38 3.4 19.3 1.0 HB2 A:ALA36 3.6 20.7 1.0 HB3 A:ALA36 3.7 20.9 1.0 CB A:SER55 3.7 17.5 1.0 CB A:ALA36 3.7 20.8 1.0 C3 A:PG4204 3.8 34.5 0.5 HB2 A:SER55 3.9 18.0 1.0 C18 A:WHZ201 3.9 37.4 1.0 C14 A:WHZ201 3.9 35.0 1.0 O2 A:PG4204 4.0 38.8 0.5 O3 A:PG4204 4.0 33.4 0.5 O2 A:PG4204 4.0 37.1 0.5 CB A:LYS58 4.0 21.6 1.0 O A:LYS58 4.0 18.1 1.0 C3 A:PG4204 4.1 35.8 0.5 HA2 A:GLY33 4.3 18.5 1.0 O3 A:PG4204 4.3 34.2 0.5 HB2 A:LYS58 4.3 21.6 1.0 CG A:PRO38 4.4 21.0 1.0 C12 A:WHZ201 4.4 37.9 1.0 C5 A:PG4204 4.4 29.6 0.5 HB3 A:PRO38 4.5 18.1 1.0 HG2 A:LYS58 4.6 23.2 1.0 H A:LYS58 4.6 19.6 1.0 C4 A:PG4204 4.6 35.1 0.5 HG3 A:LYS58 4.6 23.0 1.0 HG22 A:THR53 4.7 21.7 1.0 HG2 A:PRO38 4.7 19.3 1.0 CG A:LYS58 4.7 23.1 1.0 H33 A:WHZ201 4.7 36.3 1.0 H35 A:WHZ201 4.7 37.4 1.0 C A:LYS58 4.8 15.6 1.0 CA A:LYS58 4.8 19.4 1.0 N A:LYS58 4.8 18.4 1.0 HD3 A:PRO38 4.9 17.5 1.0 HB1 A:ALA75 5.0 16.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorobenzoyl) Amino]Cyclohexane-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 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorobenzoyl) Amino]Cyclohexane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:36.2 occ:1.00 CL20 A:WHZ201 0.0 36.2 1.0 C15 A:WHZ201 1.7 36.4 1.0 C16 A:WHZ201 2.6 36.6 1.0 C14 A:WHZ201 2.7 35.0 1.0 HB3 A:ALA36 2.8 20.9 1.0 H33 A:WHZ201 2.9 36.3 1.0 CL19 A:WHZ201 2.9 42.3 1.0 HE2 A:PHE16 3.2 14.0 1.0 O A:GLY33 3.3 22.7 1.0 HA2 A:GLY33 3.3 18.5 1.0 HG3 A:PRO38 3.5 19.3 1.0 O A:HOH317 3.5 22.6 1.0 HH22 A:ARG126 3.6 17.4 1.0 CB A:ALA36 3.6 20.8 1.0 HB1 A:ALA36 3.7 20.7 1.0 C5 A:PG4204 3.8 29.6 0.5 HB2 A:ALA36 3.8 20.7 1.0 C12 A:WHZ201 3.9 37.9 1.0 C17 A:WHZ201 3.9 36.5 1.0 HZ A:PHE16 3.9 14.3 1.0 NH2 A:ARG126 4.0 17.8 1.0 CE2 A:PHE16 4.0 13.4 1.0 CA A:GLY33 4.0 18.6 1.0 HH21 A:ARG126 4.0 17.4 1.0 C4 A:PG4204 4.0 35.3 0.5 HG2 A:PRO38 4.0 19.3 1.0 HA3 A:GLY33 4.0 18.4 1.0 C A:GLY33 4.1 19.4 1.0 C6 A:PG4204 4.1 32.8 0.5 HD3 A:PRO38 4.1 17.5 1.0 CG A:PRO38 4.2 21.0 1.0 O3 A:PG4204 4.3 33.4 0.5 CZ A:PHE16 4.3 15.3 1.0 C18 A:WHZ201 4.4 37.4 1.0 O3 A:PG4204 4.5 34.2 0.5 CD A:PRO38 4.6 16.7 1.0 H34 A:WHZ201 4.7 36.8 1.0 H A:ALA36 4.8 22.0 1.0 C5 A:PG4204 4.8 34.0 0.5 CA A:ALA36 4.8 20.2 1.0 H31 A:WHZ201 4.9 38.9 1.0 CZ A:ARG126 5.0 16.6 1.0 HD2 A:PRO38 5.0 17.4 1.0

U.Obst, C.Magnone, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human FABP4 Binding Site Mutated to That of FABP5 Complex To Be Published.