Chlorine in PDB 7g15: Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with Rac-(1R,2S)-2-[(3,4-Dichlorophenoxy) Methyl]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-Dichlorophenoxy) Methyl]Cyclohexane-1-Carboxylic Acid, PDB code: 7g15 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)	32.24 / 1.28
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.236, 53.071, 72.357, 90, 90, 90
R / Rfree (%)	14.5 / 20.4

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-Dichlorophenoxy) Methyl]Cyclohexane-1-Carboxylic Acid (pdb code 7g15). 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-Dichlorophenoxy) Methyl]Cyclohexane-1-Carboxylic Acid, PDB code: 7g15:
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-Dichlorophenoxy) Methyl]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-Dichlorophenoxy) Methyl]Cyclohexane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:38.5 occ:1.00 CL19 A:WYO201 0.0 38.5 1.0 C15 A:WYO201 1.7 23.7 1.0 C16 A:WYO201 2.7 25.3 1.0 C14 A:WYO201 2.8 22.7 1.0 HG3 A:LYS58 2.9 18.9 1.0 H33 A:WYO201 2.9 23.2 1.0 HG22 A:THR53 3.2 17.9 1.0 CL20 A:WYO201 3.2 36.1 1.0 HB3 A:LYS58 3.3 18.1 1.0 HG23 A:THR60 3.3 15.1 1.0 O A:LYS58 3.4 13.3 1.0 HG2 A:LYS58 3.5 19.0 1.0 CG A:LYS58 3.5 18.3 1.0 HB2 A:ALA75 3.6 14.6 1.0 HB1 A:ALA75 3.6 14.6 1.0 HG A:SER55 3.7 14.9 1.0 CB A:LYS58 3.8 17.5 1.0 C A:LYS58 3.9 12.4 1.0 CG2 A:THR53 4.0 18.5 1.0 HB A:THR53 4.0 14.9 1.0 HG21 A:THR53 4.0 17.0 1.0 C17 A:WYO201 4.0 20.6 1.0 C13 A:WYO201 4.1 20.1 1.0 CB A:ALA75 4.1 14.7 1.0 HA A:ASN59 4.1 11.8 1.0 CG2 A:THR60 4.2 15.3 1.0 O A:HOH382 4.2 21.6 1.0 HG21 A:THR60 4.3 15.0 1.0 OG A:SER55 4.4 15.7 1.0 HB3 A:SER55 4.4 13.9 1.0 N A:ASN59 4.5 11.0 1.0 HB3 A:ALA75 4.5 14.8 1.0 H A:THR60 4.5 10.6 1.0 CB A:THR53 4.5 14.8 1.0 C18 A:WYO201 4.6 22.4 1.0 CA A:LYS58 4.6 13.9 1.0 OG1 A:THR60 4.6 14.6 1.0 CA A:ASN59 4.6 11.3 1.0 HB3 A:PRO38 4.6 12.0 1.0 HB2 A:LYS58 4.6 17.1 1.0 C A:ASN59 4.6 13.3 1.0 N A:THR60 4.7 11.4 1.0 HG23 A:THR53 4.7 16.6 1.0 O A:THR53 4.7 15.9 1.0 H34 A:WYO201 4.8 21.7 1.0 HG22 A:THR60 4.8 14.7 1.0 CD A:LYS58 4.9 21.9 1.0 HG3 A:PRO38 4.9 16.3 1.0 CB A:THR60 5.0 12.4 1.0 CB A:SER55 5.0 14.8 1.0 HE2 A:LYS58 5.0 25.0 1.0 C A:THR53 5.0 12.6 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-Dichlorophenoxy) Methyl]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-Dichlorophenoxy) Methyl]Cyclohexane-1-Carboxylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:36.1 occ:1.00 CL20 A:WYO201 0.0 36.1 1.0 C16 A:WYO201 1.7 25.3 1.0 C17 A:WYO201 2.6 20.6 1.0 H34 A:WYO201 2.6 21.7 1.0 C15 A:WYO201 2.7 23.7 1.0 HG A:SER55 2.8 14.9 1.0 HB3 A:LYS58 3.0 18.1 1.0 OG A:SER55 3.0 15.7 1.0 HB1 A:ALA36 3.2 17.9 1.0 CL19 A:WYO201 3.2 38.5 1.0 HB2 A:ALA36 3.3 17.6 1.0 HB3 A:ALA36 3.5 18.0 1.0 CB A:ALA36 3.5 17.5 1.0 HB3 A:SER55 3.6 13.9 1.0 CB A:SER55 3.8 14.8 1.0 C18 A:WYO201 3.9 22.4 1.0 HA2 A:GLY33 3.9 15.8 1.0 CB A:LYS58 3.9 17.5 1.0 HB2 A:SER55 4.0 15.1 1.0 C14 A:WYO201 4.0 22.7 1.0 O A:HOH368 4.0 22.3 1.0 O A:LYS58 4.1 13.3 1.0 HB2 A:LYS58 4.3 17.1 1.0 HG2 A:LYS58 4.4 19.0 1.0 C13 A:WYO201 4.4 20.1 1.0 HG3 A:PRO38 4.4 16.3 1.0 HB3 A:PRO38 4.4 12.0 1.0 H A:LYS58 4.5 13.6 1.0 CG A:LYS58 4.6 18.3 1.0 HD3 A:PRO38 4.6 13.8 1.0 HG3 A:LYS58 4.6 18.9 1.0 H35 A:WYO201 4.6 20.7 1.0 CA A:LYS58 4.8 13.9 1.0 N A:LYS58 4.8 13.5 1.0 H33 A:WYO201 4.8 23.2 1.0 C A:LYS58 4.8 12.4 1.0 CA A:GLY33 4.8 16.2 1.0 HB2 A:LEU57 4.9 17.3 1.0 CA A:ALA36 5.0 19.7 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.