Bromine in PDB 2xag: Crystal Structure of LSD1-Corest in Complex with Para-Bromo- (-)-Trans-2-Phenylcyclopropyl-1-Amine

The structure of Crystal Structure of LSD1-Corest in Complex with Para-Bromo- (-)-Trans-2-Phenylcyclopropyl-1-Amine, PDB code: 2xag was solved by C.Binda, S.Valente, M.Romanenghi, S.Pilotto, R.Cirilli, A.Karytinos, G.Ciossani, O.A.Botrugno, F.Forneris, M.Tardugno, D.E.Edmondson, S.Minucci, A.Mattevi, A.Mai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.96 / 3.10
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	116.470, 178.030, 236.000, 90.00, 90.00, 90.00
R / Rfree (%)	20.918 / 24.47

The binding sites of Bromine atom in the Crystal Structure of LSD1-Corest in Complex with Para-Bromo- (-)-Trans-2-Phenylcyclopropyl-1-Amine (pdb code 2xag). 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 LSD1-Corest in Complex with Para-Bromo- (-)-Trans-2-Phenylcyclopropyl-1-Amine, PDB code: 2xag:

Bromine binding site 1 out of 1 in the Crystal Structure of LSD1-Corest in Complex with Para-Bromo- (-)-Trans-2-Phenylcyclopropyl-1-Amine


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 LSD1-Corest in Complex with Para-Bromo- (-)-Trans-2-Phenylcyclopropyl-1-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br901 b:90.9 occ:1.00 BR A:TCF901 0.0 90.9 1.0 CB4 A:TCF901 1.9 82.1 1.0 CB5 A:TCF901 2.8 80.1 1.0 CB3 A:TCF901 2.9 79.0 1.0 CG2 A:THR810 3.8 44.8 1.0 CG2 A:THR335 4.0 52.7 1.0 CB6 A:TCF901 4.1 77.3 1.0 CB2 A:TCF901 4.2 76.3 1.0 OG1 A:THR335 4.3 50.6 1.0 CB A:THR335 4.6 51.9 1.0 CB1 A:TCF901 4.7 75.3 1.0 CE1 A:HIS812 4.9 42.1 1.0

C.Binda, S.Valente, M.Romanenghi, S.Pilotto, R.Cirilli, A.Karytinos, G.Ciossani, O.A.Botrugno, F.Forneris, M.Tardugno, D.E.Edmondson, S.Minucci, A.Mattevi, A.Mai. Biochemical, Structural, and Biological Evaluation of Tranylcypromine Derivatives As Inhibitors of Histone Demethylases LSD1 and LSD2. J.Am.Chem.Soc. V. 132 6827 2010.
ISSN: ISSN 0002-7863
PubMed: 20415477
DOI: 10.1021/JA101557K