Calcium in PDB 3bya: Structure of A Calmodulin Complex

The structure of Structure of A Calmodulin Complex, PDB code: 3bya was solved by G.Birrane, A.Soni, J.A.A.Ladias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.74 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.768, 42.737, 62.012, 90.00, 106.92, 90.00
R / Rfree (%)	18.1 / 23.2

The binding sites of Calcium atom in the Structure of A Calmodulin Complex (pdb code 3bya). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Structure of A Calmodulin Complex, PDB code: 3bya:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of A Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of A Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca149 b:23.4 occ:1.00 O A:GLN135 2.3 33.6 1.0 OD1 A:ASP129 2.3 34.9 1.0 OD1 A:ASP133 2.3 32.3 1.0 OD1 A:ASP131 2.4 35.4 1.0 O A:HOH156 2.4 23.6 1.0 OE1 A:GLU140 2.5 37.2 1.0 OE2 A:GLU140 2.6 35.3 1.0 CD A:GLU140 2.9 37.2 1.0 CG A:ASP131 3.3 38.8 1.0 CG A:ASP133 3.3 35.7 1.0 CG A:ASP129 3.4 35.3 1.0 C A:GLN135 3.5 32.7 1.0 OD2 A:ASP131 3.6 38.5 1.0 OD2 A:ASP133 3.8 34.1 1.0 N A:GLN135 4.1 32.7 1.0 N A:ASP133 4.1 34.6 1.0 OD2 A:ASP129 4.1 37.9 1.0 N A:ASP131 4.2 36.1 1.0 CB A:ASP129 4.3 36.2 1.0 CA A:ASP129 4.3 37.1 1.0 N A:GLY132 4.3 35.4 1.0 N A:VAL136 4.3 33.8 1.0 CA A:GLN135 4.4 33.0 1.0 CB A:ASP133 4.4 34.2 1.0 N A:ILE130 4.4 38.7 1.0 CA A:VAL136 4.4 34.9 1.0 CG A:GLU140 4.4 34.6 1.0 N A:ASN137 4.5 35.3 1.0 CB A:ASP131 4.5 38.1 1.0 N A:GLY134 4.6 33.8 1.0 CA A:ASP133 4.6 33.8 1.0 CA A:ASP131 4.7 38.1 1.0 C A:ASP129 4.8 38.9 1.0 C A:ASP133 4.8 33.3 1.0 C A:ASP131 4.9 35.3 1.0 C A:VAL136 4.9 36.3 1.0 CB A:GLN135 4.9 33.7 1.0 CG A:ASN137 5.0 36.6 1.0

Calcium binding site 2 out of 4 in the Structure of A Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of A Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:25.5 occ:1.00 OD1 A:ASP93 2.3 33.1 1.0 OD1 A:ASP95 2.3 35.7 1.0 O A:TYR99 2.3 38.1 1.0 OD1 A:ASN97 2.4 33.9 1.0 OE1 A:GLU104 2.4 35.4 1.0 O A:HOH157 2.4 27.3 1.0 OE2 A:GLU104 2.5 33.9 1.0 CD A:GLU104 2.8 35.4 1.0 CG A:ASP95 3.3 38.0 1.0 CG A:ASN97 3.4 32.5 1.0 CG A:ASP93 3.5 33.7 1.0 C A:TYR99 3.5 34.6 1.0 OD2 A:ASP95 3.7 36.7 1.0 N A:ASN97 4.0 34.7 1.0 ND2 A:ASN97 4.1 32.5 1.0 CA A:ASP93 4.2 35.5 1.0 N A:TYR99 4.2 33.6 1.0 CG A:GLU104 4.3 33.9 1.0 CB A:ASN97 4.3 33.4 1.0 OD2 A:ASP93 4.3 33.4 1.0 O A:HOH158 4.3 28.3 1.0 CB A:ASP93 4.3 35.3 1.0 N A:ASP95 4.4 36.5 1.0 CA A:TYR99 4.4 33.5 1.0 C A:ASP93 4.4 35.5 1.0 N A:ILE100 4.5 34.1 1.0 CA A:ILE100 4.5 33.2 1.0 CB A:ASP95 4.6 36.8 1.0 N A:LYS94 4.6 38.3 1.0 CA A:ASN97 4.6 33.7 1.0 N A:GLY96 4.6 36.2 1.0 N A:SER101 4.6 33.8 1.0 O A:HOH164 4.8 33.9 1.0 N A:GLY98 4.8 34.5 1.0 CA A:ASP95 4.8 36.1 1.0 CB A:TYR99 4.8 33.9 1.0 C A:ASP95 4.9 35.9 1.0 O A:HOH206 4.9 41.4 1.0 O A:ASP93 5.0 35.5 1.0 C A:ASN97 5.0 32.7 1.0

Calcium binding site 3 out of 4 in the Structure of A Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of A Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca151 b:69.7 occ:1.00 OD1 A:ASN60 2.1 32.7 1.0 OD1 A:ASP58 2.3 31.2 1.0 O A:THR62 2.4 29.3 1.0 OD1 A:ASP56 2.4 24.4 1.0 OE2 A:GLU67 2.6 36.1 1.0 OE1 A:GLU67 2.8 37.3 1.0 CG A:ASN60 3.0 36.1 1.0 O A:HOH226 3.0 44.4 0.5 CD A:GLU67 3.1 35.6 1.0 ND2 A:ASN60 3.3 35.1 1.0 CG A:ASP58 3.3 36.2 1.0 C A:THR62 3.5 33.1 1.0 CG A:ASP56 3.6 36.6 1.0 OD2 A:ASP58 3.7 39.5 1.0 OG1 A:THR62 4.0 32.8 1.0 OD2 A:ASP56 4.1 33.6 1.0 CB A:ASN60 4.3 37.0 1.0 N A:ASP64 4.3 32.8 1.0 N A:THR62 4.3 33.7 1.0 N A:ILE63 4.4 32.5 1.0 N A:ASN60 4.4 37.3 1.0 CA A:THR62 4.5 32.9 1.0 N A:ASP58 4.5 35.0 1.0 CA A:ILE63 4.5 33.0 1.0 CG A:GLU67 4.6 34.8 1.0 OD1 A:ASP64 4.6 42.9 1.0 CB A:ASP58 4.6 35.2 1.0 N A:ALA57 4.7 38.4 1.0 C A:ILE63 4.8 32.8 1.0 CG A:ASP64 4.8 38.0 1.0 CB A:ASP56 4.8 39.4 1.0 CA A:ASN60 4.8 36.7 1.0 CB A:THR62 4.9 33.4 1.0 N A:GLY59 4.9 36.4 1.0 CA A:ASP58 4.9 35.4 1.0 CB A:ASP64 4.9 34.1 1.0 CA A:ASP56 4.9 40.0 1.0

Calcium binding site 4 out of 4 in the Structure of A Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of A Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca152 b:50.2 occ:1.00 OD1 A:ASP20 2.1 36.6 1.0 OD1 A:ASP22 2.2 43.4 1.0 O A:THR26 2.2 33.1 1.0 O A:HOH176 2.4 50.6 1.0 OD1 A:ASP24 2.4 32.6 1.0 OE2 A:GLU31 2.5 37.9 1.0 OE1 A:GLU31 2.5 32.2 1.0 CD A:GLU31 2.9 31.8 1.0 CG A:ASP22 3.1 42.3 1.0 CG A:ASP20 3.3 38.3 1.0 CG A:ASP24 3.4 38.4 1.0 OD2 A:ASP22 3.4 43.7 1.0 C A:THR26 3.4 33.1 1.0 OD2 A:ASP24 4.0 38.3 1.0 OG1 A:THR26 4.0 39.7 1.0 N A:THR26 4.1 35.0 1.0 OD2 A:ASP20 4.1 41.7 1.0 N A:ASP22 4.1 43.1 1.0 CA A:ASP20 4.1 37.9 1.0 N A:ASP24 4.2 40.3 1.0 CB A:ASP20 4.2 38.1 1.0 CA A:THR26 4.3 34.7 1.0 CB A:ASP22 4.3 43.2 1.0 CG A:GLU31 4.4 31.3 1.0 C A:ASP20 4.4 39.8 1.0 CB A:ASP24 4.4 38.9 1.0 N A:ILE27 4.4 31.5 1.0 O A:HOH219 4.5 61.4 1.0 N A:LYS21 4.5 41.8 1.0 N A:GLY23 4.6 42.9 1.0 CA A:ILE27 4.6 30.6 1.0 CA A:ASP22 4.6 43.2 1.0 CA A:ASP24 4.7 39.1 1.0 C A:ASP22 4.8 43.4 1.0 CG2 A:THR28 4.8 30.8 1.0 CB A:THR26 4.8 34.8 1.0 O A:HOH178 4.8 43.6 1.0 N A:GLY25 4.8 37.2 1.0 N A:THR28 4.9 31.7 1.0 C A:ASP24 4.9 38.5 1.0 O A:ASP20 4.9 41.3 1.0

G.Birrane, A.Soni, J.A.A.Ladias. Structure of A Calmodulin Complex To Be Published.