Chlorine in PDB 7fwc: Crystal Structure of Human FABP4 in Complex with 5-(4-Chlorophenyl)-2- (Hydroxymethylene)Cyclohexane-1,3-Dione

The structure of Crystal Structure of Human FABP4 in Complex with 5-(4-Chlorophenyl)-2- (Hydroxymethylene)Cyclohexane-1,3-Dione, PDB code: 7fwc was solved by A.Ehler, J.Benz, U.Obst, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.56 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.354, 54.036, 75.087, 90, 90, 90
R / Rfree (%)	13.6 / 16.2

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with 5-(4-Chlorophenyl)-2- (Hydroxymethylene)Cyclohexane-1,3-Dione (pdb code 7fwc). 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-(4-Chlorophenyl)-2- (Hydroxymethylene)Cyclohexane-1,3-Dione, PDB code: 7fwc:
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-(4-Chlorophenyl)-2- (Hydroxymethylene)Cyclohexane-1,3-Dione


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-(4-Chlorophenyl)-2- (Hydroxymethylene)Cyclohexane-1,3-Dione within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:22.8 occ:0.50 CL16 A:M69201 0.0 22.8 0.5 CL16 A:M69201 0.8 23.9 0.5 C14 A:M69201 1.8 18.4 0.5 C14 A:M69201 1.8 17.4 0.5 H30 A:M69201 2.4 18.5 0.5 C09 A:M69201 2.5 19.9 0.5 C10 A:M69201 2.7 18.8 0.5 HB3 A:ASP76 2.7 14.9 1.0 H31 A:M69201 2.8 18.1 0.5 C09 A:M69201 2.8 17.1 0.5 HG21 A:VAL25 3.0 11.8 1.0 H30 A:M69201 3.0 16.5 0.5 C10 A:M69201 3.1 21.6 0.5 HG2 A:MET20 3.2 10.8 1.0 H31 A:M69201 3.4 18.6 0.5 CB A:ASP76 3.5 14.9 1.0 SD A:MET20 3.6 11.9 1.0 HG11 A:VAL25 3.6 11.1 1.0 OD1 A:ASP76 3.7 13.2 1.0 CG A:ASP76 3.7 13.6 1.0 C05 A:M69201 3.8 15.8 0.5 CG A:MET20 3.9 10.9 1.0 CG2 A:VAL25 3.9 12.2 1.0 C06 A:M69201 4.0 15.1 0.5 H A:ASP76 4.1 14.0 1.0 HB2 A:ASP76 4.1 15.8 1.0 HG22 A:VAL25 4.1 12.2 1.0 C05 A:M69201 4.1 15.0 0.5 HZ A:PHE16 4.1 14.6 1.0 HB3 A:ALA75 4.2 18.0 1.0 HB1 A:ALA33 4.2 12.8 1.0 HG22 A:THR29 4.2 13.6 1.0 C06 A:M69201 4.2 20.2 0.5 OD2 A:ASP76 4.3 14.5 1.0 HH21 A:ARG78 4.3 11.6 1.0 N A:ASP76 4.4 14.5 1.0 HG23 A:VAL25 4.4 12.0 1.0 HB3 A:ALA33 4.4 12.8 1.0 CG1 A:VAL25 4.4 11.3 1.0 HB2 A:ALA33 4.5 13.2 1.0 C02 A:M69201 4.5 16.1 0.5 CA A:ASP76 4.5 15.0 1.0 HG3 A:MET20 4.5 10.8 1.0 H28 A:M69201 4.6 16.9 0.5 CB A:ALA33 4.6 13.2 1.0 C02 A:M69201 4.6 14.0 0.5 HE2 A:PHE57 4.7 26.5 1.0 HG13 A:VAL25 4.7 10.9 1.0 HB3 A:MET20 4.7 10.1 1.0 CZ A:PHE16 4.7 16.6 1.0 HA A:ASP76 4.8 15.8 1.0 H29 A:M69201 4.8 15.6 0.5 CB A:VAL25 4.8 10.5 1.0 CB A:MET20 4.9 10.0 1.0 CG2 A:THR29 4.9 14.0 1.0 HG21 A:THR29 5.0 14.2 1.0 H28 A:M69201 5.0 15.2 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with 5-(4-Chlorophenyl)-2- (Hydroxymethylene)Cyclohexane-1,3-Dione


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-(4-Chlorophenyl)-2- (Hydroxymethylene)Cyclohexane-1,3-Dione within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:23.9 occ:0.50 CL16 A:M69201 0.0 23.9 0.5 CL16 A:M69201 0.8 22.8 0.5 C14 A:M69201 1.7 18.4 0.5 C14 A:M69201 1.7 17.4 0.5 H30 A:M69201 2.4 16.5 0.5 C09 A:M69201 2.4 17.1 0.5 HG21 A:VAL25 2.7 11.8 1.0 C10 A:M69201 2.7 21.6 0.5 C09 A:M69201 2.8 19.9 0.5 H31 A:M69201 2.8 18.6 0.5 HB3 A:ASP76 2.9 14.9 1.0 H30 A:M69201 2.9 18.5 0.5 C10 A:M69201 3.0 18.8 0.5 HG2 A:MET20 3.0 10.8 1.0 H31 A:M69201 3.3 18.1 0.5 OD1 A:ASP76 3.4 13.2 1.0 CG A:ASP76 3.5 13.6 1.0 CG2 A:VAL25 3.5 12.2 1.0 CB A:ASP76 3.6 14.9 1.0 HG22 A:VAL25 3.7 12.2 1.0 HH21 A:ARG78 3.7 11.6 1.0 HG11 A:VAL25 3.8 11.1 1.0 CG A:MET20 3.8 10.9 1.0 C05 A:M69201 3.8 15.0 0.5 SD A:MET20 3.8 11.9 1.0 HG23 A:VAL25 3.9 12.0 1.0 C06 A:M69201 4.0 20.2 0.5 OD2 A:ASP76 4.0 14.5 1.0 C05 A:M69201 4.0 15.8 0.5 C06 A:M69201 4.1 15.1 0.5 HB2 A:ASP76 4.2 15.8 1.0 H A:ASP76 4.2 14.0 1.0 HZ A:PHE16 4.2 14.6 1.0 HG3 A:MET20 4.4 10.8 1.0 NH2 A:ARG78 4.5 11.4 1.0 C02 A:M69201 4.5 14.0 0.5 C02 A:M69201 4.5 16.1 0.5 HB3 A:MET20 4.5 10.1 1.0 CG1 A:VAL25 4.5 11.3 1.0 H28 A:M69201 4.5 15.2 0.5 HB3 A:ALA75 4.6 18.0 1.0 HA A:MET20 4.6 9.6 1.0 N A:ASP76 4.6 14.5 1.0 CB A:VAL25 4.6 10.5 1.0 HG22 A:THR29 4.7 13.6 1.0 HH22 A:ARG78 4.7 11.4 1.0 HE2 A:TYR19 4.7 10.9 1.0 CB A:MET20 4.7 10.0 1.0 CA A:ASP76 4.8 15.0 1.0 HG13 A:VAL25 4.8 10.9 1.0 HE A:ARG78 4.8 11.9 1.0 H29 A:M69201 4.8 20.7 0.5 HG11 A:VAL23 4.8 13.2 1.0 CZ A:PHE16 4.8 16.6 1.0 H28 A:M69201 4.9 16.9 0.5 HB1 A:ALA33 4.9 12.8 1.0 HB A:VAL25 4.9 10.7 1.0

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