Bromine in PDB 5oui: Humanized Alpha-Achbp (Acetylcholine Binding Protein) in Complex with Allosteric Binder Fragment CU2017

The structure of Humanized Alpha-Achbp (Acetylcholine Binding Protein) in Complex with Allosteric Binder Fragment CU2017, PDB code: 5oui was solved by F.Delbart, F.Gruss, C.Ulens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	89.40 / 3.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.753, 113.139, 145.887, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 28

The binding sites of Bromine atom in the Humanized Alpha-Achbp (Acetylcholine Binding Protein) in Complex with Allosteric Binder Fragment CU2017 (pdb code 5oui). 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 Humanized Alpha-Achbp (Acetylcholine Binding Protein) in Complex with Allosteric Binder Fragment CU2017, PDB code: 5oui:

Bromine binding site 1 out of 1 in the Humanized Alpha-Achbp (Acetylcholine Binding Protein) in Complex with Allosteric Binder Fragment CU2017


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Humanized Alpha-Achbp (Acetylcholine Binding Protein) in Complex with Allosteric Binder Fragment CU2017 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br306 b:62.0 occ:0.85 BR1 A:AVB306 0.0 62.0 0.8 C02 A:AVB306 1.9 57.7 0.8 C07 A:AVB306 2.9 61.0 0.8 CG2 A:VAL198 2.9 66.3 1.0 C03 A:AVB306 2.9 57.2 0.8 CD2 A:LEU33 3.7 71.7 1.0 CG1 A:VAL175 3.9 72.0 1.0 CB A:LEU35 4.1 57.5 1.0 N06 A:AVB306 4.1 66.3 0.8 C04 A:AVB306 4.2 61.6 0.8 CB A:VAL198 4.4 67.0 1.0 CB A:PHE196 4.6 61.6 1.0 CD2 A:LEU35 4.6 59.9 1.0 C05 A:AVB306 4.7 64.2 0.8 CB A:VAL175 4.7 73.5 1.0 O A:THR197 4.9 66.5 1.0 CG1 A:VAL198 4.9 66.9 1.0 CG A:LEU35 4.9 58.0 1.0 N A:LEU35 5.0 57.8 1.0

F.Delbart, M.Brams, F.Gruss, S.Noppen, S.Peigneur, S.Boland, P.Chaltin, J.Brandao-Neto, F.Von Delft, W.G.Touw, R.P.Joosten, S.Liekens, J.Tytgat, C.Ulens. An Allosteric Binding Site of the Alpha 7 Nicotinic Acetylcholine Receptor Revealed in A Humanized Acetylcholine-Binding Protein. J. Biol. Chem. V. 293 2534 2018.
ISSN: ESSN 1083-351X
PubMed: 29237730
DOI: 10.1074/JBC.M117.815316