Chlorine in PDB 7g1w: Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 5-(3,5-Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid

The structure of Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 5-(3,5-Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid, PDB code: 7g1w 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)	42.80 / 1.34
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.212, 53.015, 72.44, 90, 90, 90
R / Rfree (%)	20.1 / 23.8

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 Binding Site Mutated to That of FABP5 in Complex with 5-(3,5-Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid (pdb code 7g1w). 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 5-(3,5-Dichloroanilino)-3,3-Dimethyl-5-Oxopentanoic Acid, PDB code: 7g1w:
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 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 Binding Site Mutated to That of FABP5 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:49.6 occ:1.00 CL15 A:W90201 0.0 49.6 1.0 C08 A:W90201 1.7 36.4 1.0 C07 A:W90201 2.6 32.0 1.0 H22 A:W90201 2.6 32.5 1.0 O A:LYS58 2.8 13.6 1.0 C10 A:W90201 2.8 31.8 1.0 HG22 A:THR53 2.9 17.1 1.0 HG3 A:LYS58 3.0 21.4 1.0 H23 A:W90201 3.0 32.5 1.0 HG A:SER55 3.2 14.3 1.0 HA A:ASN59 3.2 12.1 1.0 HB3 A:LYS58 3.3 18.0 1.0 HG23 A:THR60 3.3 14.4 1.0 C A:LYS58 3.4 12.3 1.0 CG A:LYS58 3.6 21.3 1.0 HB A:THR53 3.6 15.9 1.0 HG2 A:LYS58 3.7 21.5 1.0 CG2 A:THR53 3.7 17.4 1.0 O A:THR53 3.8 13.5 1.0 CB A:LYS58 3.8 18.2 1.0 H A:THR60 3.8 11.0 1.0 CA A:ASN59 3.9 12.3 1.0 OG A:SER55 3.9 14.8 1.0 C02 A:W90201 3.9 30.0 1.0 N A:ASN59 3.9 11.0 1.0 HG21 A:THR53 4.0 17.0 1.0 HB3 A:SER55 4.0 13.3 1.0 C09 A:W90201 4.0 30.9 1.0 C A:ASN59 4.1 11.5 1.0 N A:THR60 4.1 11.0 1.0 HB2 A:ALA75 4.1 14.7 1.0 C A:THR53 4.1 12.4 1.0 CB A:THR53 4.2 16.0 1.0 CA A:LYS58 4.2 14.9 1.0 HB1 A:ALA75 4.2 14.7 1.0 CG2 A:THR60 4.3 14.8 1.0 H A:SER55 4.3 12.0 1.0 OG1 A:THR60 4.3 13.8 1.0 CB A:SER55 4.5 13.2 1.0 C06 A:W90201 4.5 30.8 1.0 HG23 A:THR53 4.5 17.0 1.0 HA A:GLU54 4.5 13.0 1.0 HB3 A:PRO38 4.5 12.0 1.0 N A:SER55 4.5 11.9 1.0 N A:GLU54 4.6 11.1 1.0 HG21 A:THR60 4.6 14.4 1.0 HG1 A:THR60 4.6 13.8 1.0 CB A:ALA75 4.7 15.1 1.0 H A:ASN59 4.7 11.6 1.0 HB2 A:LYS58 4.7 18.1 1.0 CB A:THR60 4.7 13.6 1.0 C A:GLU54 4.8 11.9 1.0 CA A:THR53 4.8 12.2 1.0 O A:ASN59 4.8 14.7 1.0 CA A:GLU54 4.8 13.2 1.0 O A:HOH348 4.8 23.7 1.0 N03 A:W90201 4.9 29.4 1.0 H A:LYS58 4.9 14.5 1.0 HG22 A:THR60 4.9 14.4 1.0 H20 A:W90201 4.9 29.6 1.0 HA A:LYS58 4.9 14.7 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 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 Binding Site Mutated to That of FABP5 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:37.9 occ:1.00 CL16 A:W90201 0.0 37.9 1.0 C09 A:W90201 1.7 30.9 1.0 C06 A:W90201 2.6 30.8 1.0 H21 A:W90201 2.7 30.7 1.0 C10 A:W90201 2.7 31.8 1.0 HA2 A:GLY33 2.8 20.7 1.0 HB3 A:ALA36 2.9 16.2 1.0 H23 A:W90201 2.9 32.5 1.0 O A:GLY33 3.3 18.1 1.0 O A:HOH321 3.3 19.2 1.0 HE2 A:PHE16 3.3 13.1 1.0 HG3 A:PRO38 3.4 12.9 1.0 CA A:GLY33 3.5 20.2 1.0 HA3 A:GLY33 3.5 20.6 1.0 CB A:ALA36 3.7 15.7 1.0 HH22 A:ARG126 3.7 13.7 1.0 C A:GLY33 3.9 19.4 1.0 C02 A:W90201 3.9 30.0 1.0 HB1 A:ALA36 3.9 16.2 1.0 HB2 A:ALA36 4.0 16.2 1.0 HD3 A:PRO38 4.0 12.1 1.0 C08 A:W90201 4.0 36.4 1.0 CE2 A:PHE16 4.1 13.4 1.0 HZ A:PHE16 4.1 13.0 1.0 NH2 A:ARG126 4.2 14.3 1.0 CG A:PRO38 4.4 14.3 1.0 HH21 A:ARG126 4.4 13.7 1.0 C07 A:W90201 4.4 32.0 1.0 CZ A:PHE16 4.5 12.9 1.0 CD A:PRO38 4.6 11.2 1.0 O11 A:W90201 4.7 35.4 1.0 N A:GLY33 4.7 22.8 1.0 H A:ALA36 4.8 19.7 1.0 O A:MET32 4.8 30.8 1.0 HG2 A:PRO38 4.9 12.9 1.0 CA A:ALA36 4.9 17.4 1.0 HB3 A:PRO38 4.9 12.0 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.