Bromine in PDB 5nbx: Enah EVH1 in Complex with Ac-[2-Cl-F]-Pp-[Prom-9]-Oh

The structure of Enah EVH1 in Complex with Ac-[2-Cl-F]-Pp-[Prom-9]-Oh, PDB code: 5nbx was solved by M.Barone, Y.Roske, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.19 / 1.65
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.214, 131.615, 35.704, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 19.5

The structure of Enah EVH1 in Complex with Ac-[2-Cl-F]-Pp-[Prom-9]-Oh also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Bromine atom in the Enah EVH1 in Complex with Ac-[2-Cl-F]-Pp-[Prom-9]-Oh (pdb code 5nbx). 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 Enah EVH1 in Complex with Ac-[2-Cl-F]-Pp-[Prom-9]-Oh, PDB code: 5nbx:

Bromine binding site 1 out of 1 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-Pp-[Prom-9]-Oh


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Enah EVH1 in Complex with Ac-[2-Cl-F]-Pp-[Prom-9]-Oh within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:41.2 occ:0.50 HB2 A:ASN44 2.8 35.0 1.0 H A:GLY42 2.9 48.1 1.0 HA A:THR41 3.1 44.5 1.0 HA A:ASN44 3.3 38.0 1.0 HE1 A:HIS39 3.4 28.4 1.0 H A:ASN44 3.5 50.2 1.0 CB A:ASN44 3.5 29.1 1.0 N A:GLY42 3.6 40.1 1.0 CA A:ASN44 3.7 31.7 1.0 N A:ASN44 3.8 41.8 1.0 CA A:THR41 3.9 37.1 1.0 HB A:THR41 3.9 49.3 1.0 OD1 A:ASN44 3.9 28.6 1.0 CE1 A:HIS39 4.0 23.7 1.0 CG A:ASN44 4.0 29.1 1.0 HG22 A:THR41 4.1 44.9 1.0 NE2 A:HIS39 4.2 22.4 1.0 C A:THR41 4.3 40.1 1.0 HB3 A:ASN44 4.4 35.0 1.0 CB A:THR41 4.4 41.0 1.0 CA A:GLY42 4.6 47.1 1.0 C A:GLY42 4.6 56.0 1.0 O A:HIS40 4.6 27.4 1.0 O A:GLY42 4.7 57.4 1.0 HA2 A:GLY42 4.7 56.6 1.0 CG2 A:THR41 4.7 37.4 1.0 C A:ASN43 4.9 39.6 1.0 N A:ASN43 5.0 51.1 1.0

M.Barone, M.Muller, R.Opitz, Y.Roske, A.Soicke, S.Chiha, S.Klein, H.G.Schmalz, R.Kuhne. Ena/Vasp As Possible Antimetastatic Target Addressed By Structure-Optimized Prom Scaffolds To Be Published.