Chlorine in PDB 7fxp: Crystal Structure of Human FABP4 in Complex with (Z)-4-(4-Bromo-2- Chloroanilino)-4-Oxobut-2-Enoic Acid

The structure of Crystal Structure of Human FABP4 in Complex with (Z)-4-(4-Bromo-2- Chloroanilino)-4-Oxobut-2-Enoic Acid, PDB code: 7fxp was solved by A.Ehler, J.Benz, U.Obst, J.Diratsouian, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.10 / 1.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.727, 54.133, 74.198, 90, 90, 90
R / Rfree (%)	14.5 / 16.6

The structure of Crystal Structure of Human FABP4 in Complex with (Z)-4-(4-Bromo-2- Chloroanilino)-4-Oxobut-2-Enoic Acid also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human FABP4 in Complex with (Z)-4-(4-Bromo-2- Chloroanilino)-4-Oxobut-2-Enoic Acid (pdb code 7fxp). 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 (Z)-4-(4-Bromo-2- Chloroanilino)-4-Oxobut-2-Enoic Acid, PDB code: 7fxp:
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 (Z)-4-(4-Bromo-2- Chloroanilino)-4-Oxobut-2-Enoic 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 (Z)-4-(4-Bromo-2- Chloroanilino)-4-Oxobut-2-Enoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:16.8 occ:1.00 CL6 A:TB3202 0.0 16.8 1.0 C2 A:TB3202 1.7 14.3 1.0 C5 A:TB3202 2.6 12.5 1.0 C1 A:TB3202 2.7 12.1 1.0 N3 A:TB3202 3.0 13.3 1.0 O A:HOH376 3.3 23.1 1.0 CE2 A:TYR20 3.7 9.2 1.0 O A:HOH361 3.7 11.5 1.0 NH2 A:ARG79 3.9 11.2 1.0 C9 A:TB3202 3.9 13.0 1.0 C4 A:TB3202 4.0 12.2 1.0 CG2 A:VAL24 4.1 8.3 0.3 OD1 A:ASP77 4.2 12.3 1.0 C7 A:TB3202 4.3 12.4 1.0 CG A:MET21 4.3 9.6 1.0 CD2 A:TYR20 4.3 9.0 1.0 O A:HOH336 4.4 13.1 0.5 C8 A:TB3202 4.4 13.1 1.0 CE1 A:PHE17 4.6 12.4 1.0 CZ A:TYR20 4.7 8.9 1.0 OH A:TYR20 4.7 9.9 1.0 CG A:ASP77 4.8 12.0 1.0 CZ A:PHE17 4.8 12.8 1.0 CG1 A:VAL24 4.9 14.6 0.7 C10 A:TB3202 4.9 14.0 1.0 CG2 A:VAL26 4.9 10.0 1.0 CG2 A:VAL24 4.9 12.4 0.7

Chlorine binding site 2 out of 2 in the Crystal Structure of Human FABP4 in Complex with (Z)-4-(4-Bromo-2- Chloroanilino)-4-Oxobut-2-Enoic 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 (Z)-4-(4-Bromo-2- Chloroanilino)-4-Oxobut-2-Enoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:20.4 occ:1.00 CG A:LYS108 2.7 22.9 1.0 CD A:LYS108 2.9 25.4 1.0 CE A:LYS108 2.9 28.6 1.0 O A:VAL115 3.0 9.4 1.0 O A:LYS106 3.2 10.4 1.0 CD A:GLU117 3.4 23.8 1.0 CG A:GLU117 3.5 17.7 1.0 OE1 A:GLU117 3.5 27.5 1.0 C A:LYS106 3.6 7.5 1.0 OE2 A:GLU117 3.7 31.8 1.0 N A:GLU117 3.7 8.2 1.0 N A:LYS108 3.7 8.1 1.0 CB A:LYS108 3.8 15.0 1.0 C A:VAL115 3.8 8.0 1.0 CB A:GLU117 3.8 11.1 1.0 CB A:LYS106 3.9 9.2 1.0 NZ A:LYS108 4.0 29.3 1.0 N A:ARG107 4.1 7.3 1.0 C A:ARG107 4.1 7.5 1.0 CA A:ARG107 4.1 7.8 1.0 CG1 A:VAL115 4.2 13.4 1.0 C A:VAL116 4.2 8.6 1.0 CA A:VAL116 4.3 8.6 1.0 N A:VAL116 4.3 8.1 1.0 CA A:LYS108 4.3 9.8 1.0 CB A:VAL115 4.3 10.9 1.0 CA A:GLU117 4.4 8.7 1.0 CA A:LYS106 4.4 7.9 1.0 CA A:VAL115 4.7 8.5 1.0 O A:ARG107 4.9 8.2 1.0

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