Calcium in PDB 3cln: Structure of Calmodulin Refined at 2.2 Angstroms Resolution

The structure of Structure of Calmodulin Refined at 2.2 Angstroms Resolution, PDB code: 3cln was solved by Y.S.Babu, C.E.Bugg, W.J.Cook, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.20
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	29.710, 53.790, 24.990, 94.13, 97.57, 89.46
R / Rfree (%)	n/a / n/a

The binding sites of Calcium atom in the Structure of Calmodulin Refined at 2.2 Angstroms Resolution (pdb code 3cln). 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 Calmodulin Refined at 2.2 Angstroms Resolution, PDB code: 3cln:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Structure of Calmodulin Refined at 2.2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Calmodulin Refined at 2.2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca149 b:12.3 occ:1.00 OE1 A:GLU31 2.3 9.2 1.0 OD2 A:ASP20 2.3 19.8 1.0 OE2 A:GLU31 2.4 6.0 1.0 O A:HOH153 2.4 24.1 1.2 OD1 A:ASP22 2.4 21.3 1.0 O A:THR26 2.5 11.2 1.0 OD2 A:ASP24 2.6 8.3 1.0 CD A:GLU31 2.7 9.1 1.0 CG A:ASP20 3.5 20.5 1.0 CG A:ASP22 3.5 22.2 1.0 CG A:ASP24 3.6 12.4 1.0 C A:THR26 3.7 12.2 1.0 N A:ASP24 4.1 16.6 1.0 CA A:ASP20 4.1 18.4 1.0 OG1 A:THR26 4.1 10.8 1.0 OD2 A:ASP22 4.1 24.2 1.0 N A:THR26 4.2 12.6 1.0 CG A:GLU31 4.2 7.8 1.0 OD1 A:ASP20 4.2 22.1 1.0 N A:ASP22 4.2 20.7 1.0 OD1 A:ASP24 4.3 10.3 1.0 CB A:ASP20 4.3 18.2 1.0 C A:ASP20 4.4 18.2 1.0 CA A:THR26 4.5 11.6 1.0 CB A:ASP24 4.5 13.1 1.0 N A:GLY23 4.5 19.1 1.0 N A:LYS21 4.5 18.4 1.0 CB A:ASP22 4.6 22.3 1.0 N A:ILE27 4.7 12.9 1.0 CA A:ILE27 4.7 11.8 1.0 CA A:ASP22 4.8 20.9 1.0 CA A:ASP24 4.8 13.8 1.0 C A:ASP22 4.8 21.1 1.0 N A:GLY25 4.9 12.1 1.0 O A:ASP20 4.9 18.0 1.0

Calcium binding site 2 out of 4 in the Structure of Calmodulin Refined at 2.2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Calmodulin Refined at 2.2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:15.6 occ:1.00 O A:THR62 2.2 12.3 1.0 OD2 A:ASP56 2.2 19.3 1.0 OE2 A:GLU67 2.3 13.3 1.0 O A:HOH154 2.4 17.8 0.8 OD1 A:ASN60 2.5 17.8 1.0 OD2 A:ASP58 2.5 13.6 1.0 OE1 A:GLU67 2.5 16.0 1.0 CD A:GLU67 2.8 14.6 1.0 CG A:ASP56 3.4 21.6 1.0 C A:THR62 3.4 15.4 1.0 CG A:ASP58 3.5 17.9 1.0 CG A:ASN60 3.5 17.9 1.0 OD1 A:ASP58 3.8 19.6 1.0 ND2 A:ASN60 4.0 20.2 1.0 OD1 A:ASP56 4.2 20.3 1.0 CG A:GLU67 4.2 15.5 1.0 CA A:ILE63 4.3 13.5 1.0 N A:THR62 4.3 17.2 1.0 N A:ASN60 4.3 19.8 1.0 CA A:ASP56 4.3 22.4 1.0 N A:ILE63 4.3 14.2 1.0 CB A:ASP56 4.4 20.6 1.0 N A:ASP58 4.4 22.7 1.0 CA A:THR62 4.5 14.7 1.0 N A:ALA57 4.6 24.0 1.0 OG1 A:THR62 4.6 17.6 1.0 C A:ASP56 4.7 23.4 1.0 N A:ASP64 4.7 13.6 1.0 CB A:ASN60 4.7 17.3 1.0 CB A:ASP58 4.7 19.7 1.0 N A:GLY61 4.7 15.4 1.0 N A:GLY59 4.8 22.2 1.0 CA A:ASN60 4.9 17.3 1.0 CA A:ASP58 4.9 21.4 1.0 CG A:ASP64 5.0 14.9 1.0 C A:ILE63 5.0 12.8 1.0

Calcium binding site 3 out of 4 in the Structure of Calmodulin Refined at 2.2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Calmodulin Refined at 2.2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca151 b:28.2 occ:1.00 O A:HOH155 2.0 41.6 0.9 O A:TYR99 2.1 25.7 1.0 OD2 A:ASP93 2.1 25.9 1.0 OD2 A:ASP95 2.2 30.9 1.0 OE1 A:GLU104 2.3 24.3 1.0 OD1 A:ASN97 2.4 35.8 1.0 OE2 A:GLU104 2.8 23.4 1.0 CD A:GLU104 2.9 23.8 1.0 CG A:ASP95 3.1 35.5 1.0 CG A:ASN97 3.3 35.8 1.0 C A:TYR99 3.3 26.1 1.0 CG A:ASP93 3.3 26.1 1.0 OD1 A:ASP95 3.6 37.3 1.0 ND2 A:ASN97 4.0 35.6 1.0 OD1 A:ASP93 4.0 26.3 1.0 N A:ASP95 4.2 34.8 1.0 N A:TYR99 4.2 29.8 1.0 CA A:TYR99 4.2 28.0 1.0 N A:ASN97 4.2 34.6 1.0 CB A:ASN97 4.2 35.0 1.0 N A:ILE100 4.3 23.8 1.0 CB A:ASP95 4.3 35.5 1.0 CA A:ASP93 4.3 26.5 1.0 CG A:GLU104 4.4 23.0 1.0 CB A:ASP93 4.4 24.9 1.0 C A:ASP93 4.4 29.2 1.0 CA A:ILE100 4.5 23.0 1.0 CB A:TYR99 4.5 29.3 1.0 CA A:ASP95 4.6 35.2 1.0 C A:ASP95 4.6 36.2 1.0 CA A:ASN97 4.7 32.8 1.0 O A:ASP93 4.7 29.7 1.0 N A:SER101 4.7 21.2 1.0 N A:LYS94 4.8 31.2 1.0 O A:HOH167 4.8 30.1 0.9 N A:GLY96 4.9 35.4 1.0 O A:ASP95 4.9 38.5 1.0 N A:GLY98 4.9 28.6 1.0 C A:ASN97 5.0 30.6 1.0

Calcium binding site 4 out of 4 in the Structure of Calmodulin Refined at 2.2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Calmodulin Refined at 2.2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca152 b:29.2 occ:1.00 OD2 A:ASP133 2.1 37.5 1.0 OD1 A:ASN129 2.2 27.5 1.0 OE2 A:GLU140 2.3 31.4 1.0 O A:GLN135 2.4 30.8 1.0 OD2 A:ASP131 2.6 39.5 1.0 OE1 A:GLU140 2.6 36.6 1.0 O A:HOH156 2.6 28.9 0.9 CD A:GLU140 2.8 33.8 1.0 CG A:ASP133 3.1 39.2 1.0 CG A:ASP131 3.3 39.5 1.0 CG A:ASN129 3.3 25.6 1.0 C A:GLN135 3.5 31.2 1.0 OD1 A:ASP131 3.6 40.5 1.0 OD1 A:ASP133 3.7 39.3 1.0 N A:ASP133 3.8 35.3 1.0 N A:GLN135 4.1 32.1 1.0 CB A:ASP133 4.2 37.0 1.0 ND2 A:ASN129 4.2 22.0 1.0 CB A:ASN129 4.3 26.4 1.0 CG A:GLU140 4.3 32.9 1.0 CA A:GLN135 4.3 31.2 1.0 CA A:ASN129 4.3 31.5 1.0 N A:ASP131 4.3 37.8 1.0 N A:GLY132 4.4 38.3 1.0 CA A:ASP133 4.4 34.7 1.0 N A:VAL136 4.4 30.6 1.0 N A:ILE130 4.5 35.2 1.0 N A:GLY134 4.5 33.0 1.0 CA A:VAL136 4.5 31.0 1.0 CB A:ASP131 4.5 39.5 1.0 CB A:GLN135 4.6 30.9 1.0 N A:ASN137 4.7 30.9 1.0 C A:ASP131 4.7 39.2 1.0 C A:ASN129 4.7 33.9 1.0 CA A:ASP131 4.7 38.7 1.0 C A:ASP133 4.7 34.9 1.0 C A:GLY132 4.9 36.2 1.0 CA A:GLY132 5.0 36.2 1.0

Y.S.Babu, C.E.Bugg, W.J.Cook. Structure of Calmodulin Refined at 2.2 A Resolution. J.Mol.Biol. V. 204 191 1988.
ISSN: ISSN 0022-2836
PubMed: 3145979
DOI: 10.1016/0022-2836(88)90608-0