Bromine in PDB 4my6: Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor

The structure of Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor, PDB code: 4my6 was solved by M.Barone, Y.Roske, R.Kuehne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.06 / 1.70
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.830, 131.420, 35.560, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23.8

The structure of Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Bromine atom in the Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor (pdb code 4my6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor, PDB code: 4my6:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:22.5 occ:0.40 N A:GLY42 3.4 31.3 1.0 CB A:ASN44 3.7 22.2 1.0 CA A:THR41 3.8 27.6 1.0 CA A:ASN44 3.8 23.4 1.0 CE1 A:HIS39 3.9 17.1 1.0 N A:ASN44 3.9 23.8 1.0 OD1 A:ASN44 4.0 21.9 1.0 NE2 A:HIS39 4.1 17.9 1.0 C A:THR41 4.1 29.2 1.0 CB A:THR41 4.1 29.4 1.0 CG A:ASN44 4.2 22.7 1.0 CA A:GLY42 4.4 28.3 1.0 C A:GLY42 4.4 32.9 1.0 O A:GLY42 4.4 35.3 1.0 O A:HIS40 4.6 21.1 1.0 CG2 A:THR41 4.7 26.8 1.0 N A:THR41 4.9 24.5 1.0 N A:ASN43 5.0 31.2 1.0

Bromine binding site 2 out of 2 in the Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:93.3 occ:1.00 NE2 A:GLN8 4.2 27.8 1.0 O A:HOH315 4.2 28.2 1.0

R.Opitz, M.Mueller, C.Reuter, M.Barone, A.Soike, Y.Roske, K.Piotukh, P.Huy, M.Beerbaum, B.Wiesner, M.Beyermann, P.Schmieder, H.Oschkinat, H.G.Schmalz, R.Kuehne. Proms: A Modular Toolkit to Inhibit Proline-Rich Motif Mediated 1 Protein-Protein Interactions To Be Published.