Calcium in PDB 4g27: Calcium-Calmodulin Complexed with the Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant and Phenylurea

The structure of Calcium-Calmodulin Complexed with the Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant and Phenylurea, PDB code: 4g27 was solved by M.Zhang, J.M.Pascal, J.-F.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.07 / 1.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.460, 66.870, 65.130, 90.00, 93.31, 90.00
R / Rfree (%)	19.1 / 22.8

The binding sites of Calcium atom in the Calcium-Calmodulin Complexed with the Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant and Phenylurea (pdb code 4g27). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Calcium-Calmodulin Complexed with the Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant and Phenylurea, PDB code: 4g27:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Calcium-Calmodulin Complexed with the Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant and Phenylurea


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calcium-Calmodulin Complexed with the Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant and Phenylurea within 5.0Å range: probe atom residue distance (Å) B Occ R:Ca1001 b:42.8 occ:1.00 O R:THR26 2.3 33.7 1.0 OE2 R:GLU31 2.4 40.0 1.0 OD1 R:ASP22 2.4 56.0 1.0 OD1 R:ASP20 2.4 45.7 1.0 OE1 R:GLU31 2.4 33.5 1.0 OD1 R:ASP24 2.5 39.5 1.0 O R:HOH1102 2.6 40.7 1.0 CD R:GLU31 2.7 45.7 1.0 CG R:ASP22 2.9 40.6 1.0 OD2 R:ASP22 3.1 51.5 1.0 H R:ASP22 3.2 61.6 1.0 H R:ASP24 3.2 61.6 1.0 CG R:ASP24 3.3 49.7 1.0 HA R:ASP20 3.6 51.1 1.0 C R:THR26 3.6 37.0 1.0 HG22 R:THR26 3.6 55.7 1.0 H R:THR26 3.6 50.0 1.0 CG R:ASP20 3.6 48.1 1.0 OD2 R:ASP24 3.9 49.1 1.0 HA R:ILE27 3.9 40.5 1.0 HG23 R:THR26 4.0 55.7 1.0 H R:GLY23 4.0 73.6 1.0 N R:ASP22 4.0 51.4 1.0 N R:ASP24 4.0 51.4 1.0 CB R:ASP22 4.1 44.7 1.0 CG R:GLU31 4.2 37.6 1.0 H R:LYS21 4.2 55.9 1.0 HB3 R:ASP24 4.2 55.4 1.0 CG2 R:THR26 4.2 46.5 1.0 CA R:ASP20 4.2 42.6 1.0 HG23 R:THR28 4.2 49.3 1.0 HB3 R:ASP22 4.3 53.5 1.0 CB R:ASP24 4.3 46.2 1.0 C R:ASP20 4.3 50.6 1.0 N R:GLY23 4.3 61.4 1.0 N R:THR26 4.3 41.7 1.0 N R:LYS21 4.4 46.7 1.0 CA R:ASP22 4.4 54.5 1.0 HG3 R:GLU31 4.5 45.0 1.0 OD2 R:ASP20 4.5 44.8 1.0 CB R:ASP20 4.5 39.5 1.0 CA R:THR26 4.5 35.6 1.0 N R:ILE27 4.5 36.8 1.0 H R:THR28 4.6 44.7 1.0 C R:ASP22 4.6 61.2 1.0 CA R:ASP24 4.6 52.5 1.0 HG2 R:GLU31 4.6 45.0 1.0 H R:GLY25 4.6 53.5 1.0 CA R:ILE27 4.7 33.8 1.0 O R:ASP20 4.8 55.9 1.0 HB2 R:ASP20 4.9 47.4 1.0 HB2 R:ASP22 4.9 53.5 1.0 N R:GLY25 4.9 44.7 1.0 C R:ASP24 4.9 45.8 1.0 HG21 R:THR26 5.0 55.7 1.0

Calcium binding site 2 out of 2 in the Calcium-Calmodulin Complexed with the Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant and Phenylurea


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calcium-Calmodulin Complexed with the Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant and Phenylurea within 5.0Å range: probe atom residue distance (Å) B Occ R:Ca1002 b:34.8 occ:1.00 O R:HOH1103 1.9 19.6 1.0 OD1 R:ASP56 2.1 40.9 1.0 OD2 R:ASP58 2.3 39.8 1.0 OE2 R:GLU67 2.4 48.6 1.0 O R:THR62 2.6 35.4 1.0 OE1 R:GLU67 2.6 47.0 1.0 OD1 R:ASN60 2.6 42.8 1.0 CD R:GLU67 2.8 47.2 1.0 HA R:ASP56 3.1 57.2 1.0 H R:ASP58 3.1 65.6 1.0 CG R:ASP56 3.3 34.1 1.0 H R:ASN60 3.4 50.7 1.0 CG R:ASP58 3.4 42.1 1.0 H R:GLY59 3.5 52.7 1.0 CG R:ASN60 3.7 50.3 1.0 H R:THR62 3.7 42.7 1.0 CA R:ASP56 3.8 47.8 1.0 HA R:ILE63 3.8 40.5 1.0 H R:ALA57 3.8 65.4 1.0 O R:HOH1236 3.8 43.5 1.0 C R:THR62 3.8 38.7 1.0 O R:HOH1223 3.9 42.5 1.0 C R:ASP56 3.9 54.4 1.0 N R:ASP58 4.0 54.7 1.0 N R:ALA57 4.0 54.6 1.0 OD1 R:ASP58 4.0 45.3 1.0 CB R:ASP56 4.0 33.5 1.0 N R:GLY59 4.1 43.9 1.0 N R:ASN60 4.1 42.3 1.0 HD22 R:ASN60 4.2 65.9 1.0 H R:GLY61 4.2 47.7 1.0 H R:ASP64 4.2 45.8 1.0 OD2 R:ASP56 4.2 43.8 1.0 HB2 R:ASP56 4.2 40.1 1.0 CG R:GLU67 4.3 46.2 1.0 ND2 R:ASN60 4.3 55.0 1.0 N R:THR62 4.4 35.6 1.0 O R:ASP56 4.5 50.9 1.0 CA R:ILE63 4.6 33.8 1.0 CB R:ASP58 4.6 47.5 1.0 CA R:ASP58 4.6 50.0 1.0 HG2 R:GLU67 4.6 55.3 1.0 N R:ILE63 4.7 38.4 1.0 CB R:ASN60 4.7 48.8 1.0 N R:GLY61 4.7 39.8 1.0 C R:ASP58 4.7 54.0 1.0 CA R:THR62 4.7 36.3 1.0 HG3 R:GLU67 4.8 55.3 1.0 HB3 R:ASN60 4.8 58.5 1.0 CA R:ASN60 4.8 44.4 1.0 N R:ASP64 4.8 38.2 1.0 HB3 R:ASP56 4.9 40.1 1.0 HB3 R:ALA57 4.9 72.0 1.0 C R:ALA57 4.9 54.3 1.0 CA R:GLY59 5.0 44.7 1.0 CA R:ALA57 5.0 57.6 1.0 HA2 R:GLY59 5.0 53.6 1.0 HB3 R:ASP58 5.0 56.9 1.0

M.Zhang, J.M.Pascal, M.Schumann, R.S.Armen, J.F.Zhang. Identification of the Functional Binding Pocket For Compounds Targeting Small-Conductance Ca(2+)-Activated Potassium Channels. Nat Commun V. 3 1021 2012.
ISSN: ESSN 2041-1723
PubMed: 22929778
DOI: 10.1038/NCOMMS2017