Calcium 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:

Bromine

(Br)

1 atom

The binding sites of Calcium 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 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: 5wbx:
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:33.7 occ:1.00 O R:THR26 2.2 39.5 1.0 OD1 R:ASP24 2.4 33.9 1.0 OD1 R:ASP22 2.4 45.9 1.0 OE2 R:GLU31 2.5 30.4 1.0 OE1 R:GLU31 2.5 28.2 1.0 OD1 R:ASP20 2.5 32.8 1.0 O R:HOH1169 2.6 36.3 1.0 CD R:GLU31 2.8 31.1 1.0 CG R:ASP22 3.3 50.5 1.0 CG R:ASP24 3.4 42.1 1.0 C R:THR26 3.4 27.4 1.0 CG R:ASP20 3.4 36.7 1.0 OD2 R:ASP22 3.7 48.3 1.0 OD2 R:ASP24 3.9 44.2 1.0 N R:THR26 4.0 34.4 1.0 CA R:ASP20 4.1 34.5 1.0 N R:ASP24 4.2 42.0 1.0 OD2 R:ASP20 4.2 29.7 1.0 CG2 R:THR26 4.2 34.3 1.0 CB R:ASP20 4.3 37.0 1.0 N R:ASP22 4.3 45.8 1.0 CG R:GLU31 4.3 25.0 1.0 CA R:THR26 4.3 39.9 1.0 N R:ILE27 4.4 27.1 1.0 O R:HOH1113 4.4 45.3 1.0 C R:ASP20 4.4 39.7 1.0 N R:GLY23 4.4 52.8 1.0 CB R:ASP24 4.5 39.6 1.0 CA R:ILE27 4.5 26.5 1.0 N R:LYS21 4.6 41.7 1.0 CB R:ASP22 4.6 52.5 1.0 CA R:ASP24 4.7 38.2 1.0 CA R:ASP22 4.8 50.3 1.0 N R:GLY25 4.8 31.9 1.0 O R:ASP20 4.8 42.0 1.0 C R:ASP22 4.9 52.6 1.0 CG2 R:THR28 4.9 26.8 1.0 C R:ASP24 4.9 36.4 1.0 N R:THR28 4.9 25.9 1.0 CB R:THR26 4.9 42.5 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:42.7 occ:1.00 OD1 R:ASP56 2.3 41.2 1.0 OD1 R:ASN60 2.5 43.2 1.0 O R:THR62 2.5 23.9 1.0 OE2 R:GLU67 2.5 38.0 1.0 OD1 R:ASP58 2.6 50.1 1.0 O R:HOH1154 2.8 48.4 1.0 OE1 R:GLU67 2.9 48.5 1.0 O R:HOH1171 3.0 49.6 1.0 CD R:GLU67 3.0 42.9 1.0 CG R:ASP56 3.3 39.7 1.0 CG R:ASN60 3.4 37.7 1.0 CG R:ASP58 3.5 55.5 1.0 C R:THR62 3.6 36.9 1.0 OD2 R:ASP58 3.7 59.3 1.0 ND2 R:ASN60 3.7 37.8 1.0 OD2 R:ASP56 4.1 38.4 1.0 CB R:ASP56 4.2 39.5 1.0 CA R:ASP56 4.3 40.1 1.0 N R:ASP64 4.4 33.5 1.0 CA R:ILE63 4.4 23.7 1.0 N R:ILE63 4.4 26.9 1.0 N R:THR62 4.4 31.6 1.0 CG R:GLU67 4.5 36.1 1.0 OG1 R:THR62 4.6 30.8 1.0 N R:ASN60 4.6 38.0 1.0 N R:ASP58 4.6 44.6 1.0 CA R:THR62 4.6 31.3 1.0 CG R:ASP64 4.6 49.0 1.0 N R:ALA57 4.7 44.4 1.0 CB R:ASN60 4.7 34.7 1.0 OD2 R:ASP64 4.7 61.0 1.0 OD1 R:ASP64 4.7 45.1 1.0 C R:ASP56 4.8 45.5 1.0 C R:ILE63 4.8 24.9 1.0 CB R:ASP58 4.8 51.9 1.0 N R:GLY59 4.9 42.1 1.0 O R:HOH1135 5.0 50.0 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