Calcium in PDB 4q57: Crystal Structure of the Plectin 1A Actin-Binding Domain/N-Terminal Domain of Calmodulin Complex

The structure of Crystal Structure of the Plectin 1A Actin-Binding Domain/N-Terminal Domain of Calmodulin Complex, PDB code: 4q57 was solved by J.-G.Song, J.Kostan, I.Grishkovskaya, K.Djinovic-Carugo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.93 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.080, 65.379, 87.300, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 18.7

The structure of Crystal Structure of the Plectin 1A Actin-Binding Domain/N-Terminal Domain of Calmodulin Complex also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure of the Plectin 1A Actin-Binding Domain/N-Terminal Domain of Calmodulin Complex (pdb code 4q57). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Plectin 1A Actin-Binding Domain/N-Terminal Domain of Calmodulin Complex, PDB code: 4q57:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Plectin 1A Actin-Binding Domain/N-Terminal Domain of Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Plectin 1A Actin-Binding Domain/N-Terminal Domain of Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:23.2 occ:1.00 OE2 A:GLU31 2.2 23.1 1.0 OD1 A:ASP20 2.2 19.0 1.0 O A:THR26 2.2 19.0 1.0 OD1 A:ASP22 2.3 21.4 1.0 O A:HOH204 2.3 25.8 1.0 OD1 A:ASP24 2.3 30.0 1.0 OE1 A:GLU31 2.9 32.4 1.0 CD A:GLU31 2.9 24.3 1.0 CG A:ASP24 3.2 28.6 1.0 CG A:ASP22 3.3 28.5 1.0 CG A:ASP20 3.4 21.9 1.0 C A:THR26 3.4 21.0 1.0 OD2 A:ASP22 3.7 32.5 1.0 OD2 A:ASP24 3.7 32.9 1.0 OG1 A:THR26 3.8 29.8 1.0 N A:THR26 4.0 19.4 1.0 N A:ASP24 4.1 23.2 1.0 CA A:ASP20 4.1 18.3 1.0 CA A:THR26 4.2 19.5 1.0 OD2 A:ASP20 4.2 24.8 1.0 N A:ASP22 4.3 26.6 1.0 CB A:ASP20 4.3 18.6 1.0 C A:ASP20 4.3 19.4 1.0 CG A:GLU31 4.3 18.5 1.0 CB A:ASP24 4.4 28.0 1.0 N A:ILE27 4.4 18.1 1.0 N A:GLY23 4.4 33.5 1.0 N A:LYS21 4.5 25.2 1.0 CB A:ASP22 4.6 28.5 1.0 CA A:ILE27 4.6 16.1 1.0 CB A:THR26 4.6 21.2 1.0 CA A:ASP24 4.6 24.7 1.0 N A:GLY25 4.7 23.7 1.0 CA A:ASP22 4.8 25.9 1.0 C A:ASP22 4.8 34.6 1.0 C A:ASP24 4.9 23.4 1.0 O A:ASP20 4.9 24.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Plectin 1A Actin-Binding Domain/N-Terminal Domain of Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Plectin 1A Actin-Binding Domain/N-Terminal Domain of Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:17.2 occ:1.00 OD1 A:ASP56 2.3 17.1 1.0 O A:THR62 2.3 17.4 1.0 OD1 A:ASP58 2.4 18.2 1.0 OE1 A:GLU67 2.4 15.4 1.0 O A:HOH239 2.4 21.2 1.0 OD1 A:ASN60 2.5 20.7 1.0 OE2 A:GLU67 2.5 18.5 1.0 CD A:GLU67 2.8 18.5 1.0 CG A:ASP58 3.3 23.3 1.0 CG A:ASN60 3.4 24.9 1.0 CG A:ASP56 3.5 18.5 1.0 C A:THR62 3.6 15.0 1.0 OD2 A:ASP58 3.7 23.9 1.0 ND2 A:ASN60 4.0 26.4 1.0 O A:HOH221 4.1 27.5 1.0 N A:ASN60 4.2 20.5 1.0 OD2 A:ASP56 4.2 17.6 1.0 N A:THR62 4.2 14.4 1.0 CG A:GLU67 4.3 16.5 1.0 N A:ASP58 4.3 16.2 1.0 CA A:ASP56 4.4 13.0 1.0 CA A:ILE63 4.4 11.1 1.0 CB A:ASN60 4.4 24.7 1.0 N A:ILE63 4.4 14.9 1.0 CB A:ASP56 4.4 14.1 1.0 CB A:ASP58 4.5 25.3 1.0 CA A:THR62 4.5 13.9 1.0 C A:ASP56 4.5 15.9 1.0 N A:GLY59 4.5 20.3 1.0 N A:ASP64 4.6 12.7 1.0 N A:GLY61 4.6 17.6 1.0 OG1 A:THR62 4.6 20.4 1.0 CA A:ASN60 4.7 23.4 1.0 N A:ALA57 4.7 16.3 1.0 CA A:ASP58 4.8 21.2 1.0 OD2 A:ASP64 4.8 26.8 1.0 C A:ASP58 4.8 20.2 1.0 CD1 A:ILE63 4.9 11.4 1.0 C A:ASN60 4.9 16.2 1.0 C A:ILE63 4.9 14.8 1.0 CG A:ASP64 5.0 21.1 1.0 O A:ASP56 5.0 20.3 1.0

J.-G.Song, J.Kostan, I.Grishkovskaya, K.Djinovic-Carugo. Crystal Structure of the Plectin 1A Actin-Binding Domain/N-Terminal Domain of Calmodulin Complex To Be Published.