Bromine 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:

Chlorine

(Cl)

2 atoms

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was 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:

Bromine binding site 1 out of 1 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 Bromine with other atoms in the Br 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:Br202 b:15.8 occ:1.00 BR12 A:TB3202 0.0 15.8 1.0 C9 A:TB3202 1.9 13.0 1.0 C5 A:TB3202 2.8 12.5 1.0 C8 A:TB3202 2.9 13.1 1.0 CG2 A:THR30 3.5 11.8 1.0 CB A:ALA34 3.6 10.4 1.0 CE2 A:PHE58 3.7 22.5 1.0 CB A:ASP77 3.8 12.6 1.0 N A:ASP77 3.9 11.9 1.0 CZ A:PHE58 4.0 21.5 1.0 CA A:ASP77 4.0 12.9 1.0 C A:ALA76 4.1 13.9 1.0 C2 A:TB3202 4.1 14.3 1.0 C4 A:TB3202 4.1 12.2 1.0 O A:ALA76 4.2 15.2 1.0 CB A:ALA76 4.2 14.1 1.0 CG1 A:VAL26 4.4 10.8 1.0 SD A:MET21 4.4 10.5 1.0 C1 A:TB3202 4.7 12.1 1.0 CG A:ASP77 4.7 12.0 1.0 CD2 A:PHE58 4.7 18.9 1.0 CA A:ALA76 4.8 13.5 1.0 O A:THR30 4.8 10.3 1.0 OD1 A:ASP77 4.9 12.3 1.0 CB A:THR30 4.9 10.7 1.0 CG2 A:VAL26 5.0 10.0 1.0

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