Calcium 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:

Fluorine

(F)

1 atom

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators, PDB code: 5wc5:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca1001 b:41.2 occ:1.00 O R:THR26 2.4 36.7 1.0 OD1 R:ASP22 2.4 51.0 1.0 OE2 R:GLU31 2.4 29.5 1.0 OD1 R:ASP24 2.4 48.7 1.0 OD1 R:ASP20 2.5 35.8 1.0 O R:HOH1168 2.5 36.4 1.0 OE1 R:GLU31 2.5 32.3 1.0 CD R:GLU31 2.8 33.4 1.0 CG R:ASP22 3.2 51.2 1.0 CG R:ASP24 3.3 48.1 1.0 CG R:ASP20 3.5 39.9 1.0 OD2 R:ASP22 3.6 52.3 1.0 C R:THR26 3.6 38.5 1.0 OD2 R:ASP24 3.7 49.3 1.0 N R:ASP22 4.1 46.4 1.0 CA R:ASP20 4.1 34.0 1.0 N R:ASP24 4.2 44.1 1.0 C R:ASP20 4.2 38.8 1.0 CG R:GLU31 4.2 30.6 1.0 N R:LYS21 4.3 42.9 1.0 OD2 R:ASP20 4.3 37.9 1.0 N R:THR26 4.3 31.2 1.0 CB R:ASP20 4.3 36.1 1.0 CB R:ASP22 4.4 46.4 1.0 N R:GLY23 4.4 50.3 1.0 CB R:ASP24 4.4 47.3 1.0 OG1 R:THR26 4.5 49.0 1.0 N R:ILE27 4.5 39.0 1.0 CA R:THR26 4.5 42.9 1.0 CA R:ILE27 4.6 28.3 1.0 CA R:ASP22 4.6 47.3 1.0 CA R:ASP24 4.8 41.2 1.0 C R:ASP22 4.8 48.8 1.0 O R:ASP20 4.8 43.2 1.0 N R:GLY25 5.0 32.6 1.0 N R:THR28 5.0 27.3 1.0

Calcium binding site 2 out of 2 in the Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structural Insights Into the Potency of Sk/Ik Channel Positive Modulators within 5.0Å range: probe atom residue distance (Å) B Occ R:Ca1002 b:48.2 occ:1.00 OD1 R:ASP56 2.3 33.1 1.0 OD1 R:ASN60 2.4 40.7 1.0 O R:HOH1137 2.4 32.3 1.0 OE1 R:GLU67 2.6 55.3 1.0 O R:THR62 2.6 40.5 1.0 OD1 R:ASP58 2.8 51.6 1.0 OE2 R:GLU67 2.9 55.4 1.0 O R:HOH1140 2.9 37.4 1.0 CD R:GLU67 3.1 53.3 1.0 CG R:ASN60 3.2 38.1 1.0 CG R:ASP56 3.4 45.0 1.0 ND2 R:ASN60 3.5 40.8 1.0 OD2 R:ASP58 3.5 53.8 1.0 CG R:ASP58 3.5 52.0 1.0 C R:THR62 3.6 31.0 1.0 OD2 R:ASP56 4.0 39.5 1.0 N R:ASP64 4.2 31.6 1.0 OD2 R:ASP64 4.3 61.1 1.0 OG1 R:THR62 4.3 35.4 1.0 CG R:ASP64 4.4 54.0 1.0 CA R:ILE63 4.4 36.4 1.0 N R:ILE63 4.4 30.6 1.0 N R:THR62 4.4 37.8 1.0 CB R:ASP56 4.5 42.3 1.0 CG R:GLU67 4.5 49.4 1.0 OD1 R:ASP64 4.6 53.6 1.0 CA R:THR62 4.6 38.4 1.0 CA R:ASP56 4.6 42.2 1.0 CB R:ASN60 4.6 34.3 1.0 N R:ASN60 4.6 42.4 1.0 C R:ILE63 4.7 33.4 1.0 N R:ASP58 4.8 47.7 1.0 N R:ALA57 4.9 47.2 1.0 CB R:ASP64 4.9 48.6 1.0 CB R:ASP58 4.9 53.0 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