Bromine in PDB 5wbx: Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators

The structure of Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators, PDB code: 5wbx was solved by Y.W.Nam, M.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.84 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	77.328, 66.091, 65.435, 90.00, 93.84, 90.00
R / Rfree (%)	18.8 / 24.3

The structure of Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Bromine atom in the Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators (pdb code 5wbx). 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 Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators, PDB code: 5wbx:

Bromine binding site 1 out of 1 in the Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators within 5.0Å range: probe atom residue distance (Å) B Occ R:Br1003 b:39.8 occ:1.00 BR R:AJY1003 0.0 39.8 1.0 C1 R:AJY1003 1.9 23.4 1.0 C R:AJY1003 2.8 28.6 1.0 C2 R:AJY1003 2.9 21.4 1.0 C8 R:AJY1003 3.0 32.8 1.0 CD1 R:ILE27 3.9 31.1 1.0 CE1 R:PHE68 3.9 42.7 1.0 CD1 R:PHE68 3.9 39.5 1.0 CD2 R:LEU32 3.9 23.6 1.0 C5 R:AJY1003 4.1 23.6 1.0 CD1 R:PHE19 4.1 26.3 1.0 C3 R:AJY1003 4.1 20.0 1.0 CD1 B:LEU480 4.2 20.4 1.0 CG R:PHE19 4.3 27.3 1.0 CE1 R:PHE19 4.3 29.9 1.0 CD1 R:ILE63 4.4 27.9 1.0 C4 R:AJY1003 4.6 23.0 1.0 CB B:LEU480 4.6 16.4 1.0 CD2 R:PHE19 4.7 27.0 1.0 CD1 R:LEU32 4.7 30.2 1.0 CZ R:PHE19 4.7 27.4 1.0 CG2 R:ILE27 4.8 25.8 1.0 CB R:PHE19 4.8 26.3 1.0 CG R:LEU32 4.8 29.6 1.0 CE2 R:PHE19 4.8 34.7 1.0 CG B:LEU480 4.9 21.1 1.0

Y.W.Nam, R.Orfali, T.Liu, K.Yu, M.Cui, H.Wulff, M.Zhang. Structural Insights Into the Potency of Sk Channel Positive Modulators. Sci Rep V. 7 17178 2017.
ISSN: ESSN 2045-2322
PubMed: 29214998
DOI: 10.1038/S41598-017-16607-8