Bromine in PDB 7fww: Crystal Structure of Human FABP4 in Complex with (3-Bromophenyl)- [(2Z)-2-Phenylimino-1,3-Thiazepan-3-Yl]Methanone

The structure of Crystal Structure of Human FABP4 in Complex with (3-Bromophenyl)- [(2Z)-2-Phenylimino-1,3-Thiazepan-3-Yl]Methanone, PDB code: 7fww 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)	37.58 / 1.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.504, 53.841, 75.144, 90, 90, 90
R / Rfree (%)	13.5 / 16.4

The binding sites of Bromine atom in the Crystal Structure of Human FABP4 in Complex with (3-Bromophenyl)- [(2Z)-2-Phenylimino-1,3-Thiazepan-3-Yl]Methanone (pdb code 7fww). 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 (3-Bromophenyl)- [(2Z)-2-Phenylimino-1,3-Thiazepan-3-Yl]Methanone, PDB code: 7fww:

Bromine binding site 1 out of 1 in the Crystal Structure of Human FABP4 in Complex with (3-Bromophenyl)- [(2Z)-2-Phenylimino-1,3-Thiazepan-3-Yl]Methanone


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 (3-Bromophenyl)- [(2Z)-2-Phenylimino-1,3-Thiazepan-3-Yl]Methanone within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:17.0 occ:1.00 BR23 A:Q6I201 0.0 17.0 1.0 C20 A:Q6I201 1.9 16.9 1.0 C22 A:Q6I201 2.8 17.7 1.0 C15 A:Q6I201 2.8 16.1 1.0 H40 A:Q6I201 2.9 17.6 1.0 H32 A:Q6I201 3.0 16.7 1.0 HB3 A:ALA36 3.1 11.6 1.0 HB1 A:ALA33 3.4 10.2 1.0 H25 A:Q6I201 3.4 13.5 1.0 O A:ALA33 3.5 10.2 1.0 HD2 A:PHE57 3.5 17.2 1.0 HH22 A:ARG126 3.6 12.7 1.0 HE2 A:PHE16 3.6 10.8 1.0 HG3 A:PRO38 3.6 15.3 1.0 O A:HOH367 3.7 11.4 1.0 HZ A:PHE16 3.9 11.5 1.0 HG2 A:PRO38 3.9 14.1 1.0 CB A:ALA36 3.9 11.4 1.0 NH2 A:ARG126 3.9 13.0 1.0 HH21 A:ARG126 3.9 13.0 1.0 HA A:ALA33 4.0 9.2 1.0 HB2 A:ALA36 4.1 10.9 1.0 HB1 A:ALA36 4.1 11.2 1.0 C21 A:Q6I201 4.1 22.0 1.0 C09 A:Q6I201 4.1 17.7 1.0 CG A:PRO38 4.2 15.5 1.0 CB A:ALA33 4.2 10.4 1.0 C06 A:Q6I201 4.2 13.7 1.0 CE2 A:PHE16 4.2 11.1 1.0 CD2 A:PHE57 4.3 17.3 1.0 C A:ALA33 4.3 9.5 1.0 HE2 A:PHE57 4.4 19.0 1.0 CA A:ALA33 4.4 9.2 1.0 CZ A:PHE16 4.4 11.8 1.0 HD3 A:PRO38 4.4 11.7 1.0 H27 A:Q6I201 4.6 14.1 1.0 HB2 A:ALA33 4.7 10.4 1.0 C16 A:Q6I201 4.7 19.6 1.0 HB3 A:PHE57 4.7 13.0 1.0 CE2 A:PHE57 4.7 20.4 1.0 C12 A:Q6I201 4.8 13.8 1.0 HB3 A:ALA33 4.9 10.3 1.0 CD A:PRO38 4.9 11.8 1.0 CZ A:ARG126 4.9 12.7 1.0 H39 A:Q6I201 5.0 20.0 1.0 HG A:SER55 5.0 12.8 1.0 H A:ALA36 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.