Fluorine in PDB 5wc5: 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: 5wc5 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)	26.79 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.994, 66.015, 65.298, 90.00, 93.76, 90.00
R / Rfree (%)	19.5 / 25

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 Fluorine atom in the Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators (pdb code 5wc5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators, PDB code: 5wc5:

Fluorine 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 Fluorine with other atoms in the F 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:F1005 b:0.6 occ:1.00 F R:AJV1005 0.0 0.6 1.0 C2 R:AJV1005 1.3 5.0 1.0 C1 R:AJV1005 2.2 34.8 1.0 C3 R:AJV1005 2.6 21.1 1.0 N R:AJV1005 3.5 26.7 1.0 C R:AJV1005 3.6 35.7 1.0 CD1 R:ILE27 3.8 29.5 1.0 CD2 R:LEU32 3.8 28.1 1.0 C4 R:AJV1005 3.8 19.2 1.0 CD2 R:PHE68 4.0 36.4 1.0 CD1 R:PHE19 4.0 29.8 1.0 CE2 R:PHE68 4.0 36.9 1.0 CD1 R:ILE63 4.1 30.1 1.0 CG R:PHE19 4.2 28.6 1.0 C5 R:AJV1005 4.2 30.0 1.0 CE1 R:PHE19 4.3 37.6 1.0 CD1 B:LEU480 4.4 20.4 1.0 CD1 R:LEU32 4.4 24.3 1.0 CB R:PHE19 4.6 29.8 1.0 CG R:LEU32 4.6 25.3 1.0 CG2 R:ILE27 4.6 27.4 1.0 CD2 R:PHE19 4.6 29.5 1.0 C6 R:AJV1005 4.8 23.6 1.0 CZ R:PHE19 4.8 28.8 1.0 CB B:LEU480 4.8 19.3 1.0 CG1 R:ILE27 4.9 28.9 1.0 CE2 R:PHE19 5.0 29.6 1.0 C7 R:AJV1005 5.0 23.7 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