Calcium in PDB 1exr: The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin

The structure of The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin, PDB code: 1exr was solved by M.A.Wilson, A.T.Brunger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	500.00 / 1.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	25.015, 29.415, 52.761, 89.54, 86.10, 82.39
R / Rfree (%)	13.4 / 16.3

The binding sites of Calcium atom in the The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin (pdb code 1exr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 5 binding sites of Calcium where determined in the The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin, PDB code: 1exr:
Jump to Calcium binding site number: 1; 2; 3; 4; 5;

Calcium binding site 1 out of 5 in the The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1000 b:7.6 occ:1.00 OD1 A:ASP20 2.3 7.8 1.0 OD1 A:ASP24 2.4 7.7 1.0 O A:HOH2122 2.4 10.5 1.0 O A:THR26 2.4 7.8 1.0 OD1 A:ASP22 2.4 9.5 1.0 OE1 A:GLU31 2.5 8.7 1.0 OE2 A:GLU31 2.5 10.8 1.0 CD A:GLU31 2.8 9.2 1.0 CG A:ASP24 3.3 8.0 1.0 CG A:ASP20 3.4 7.5 1.0 C A:THR26 3.5 7.1 1.0 CG A:ASP22 3.5 10.4 1.0 OG1 A:THR26 3.9 9.2 1.0 OD2 A:ASP24 4.0 9.5 1.0 CA A:ASP20 4.1 7.4 1.0 OD2 A:ASP22 4.1 13.8 1.0 N A:ASP24 4.1 8.3 1.0 N A:THR26 4.2 7.2 1.0 CB A:ASP20 4.2 8.2 1.0 OD2 A:ASP20 4.3 8.6 1.0 CB A:ASP24 4.3 8.3 1.0 CG A:GLU31 4.3 10.0 1.0 N A:ASP22 4.3 10.0 1.0 C A:ASP20 4.3 8.8 1.0 CA A:THR26 4.4 7.2 1.0 N A:ILE27 4.5 7.3 1.0 O A:HOH2041 4.5 8.0 0.3 N A:LYS21 4.5 10.0 1.0 N A:GLY23 4.6 9.1 1.0 O A:HOH2042 4.6 11.4 0.3 CA A:ASP24 4.6 8.3 1.0 CA A:ILE27 4.6 7.8 1.0 CB A:ASP22 4.7 11.0 1.0 CB A:THR26 4.8 7.8 1.0 CA A:ASP22 4.8 9.9 1.0 C A:ASP22 4.8 9.6 1.0 O A:HOH2047 4.8 20.6 1.0 N A:GLY25 4.9 7.5 1.0 C A:ASP24 4.9 7.7 1.0 O A:ASP20 4.9 10.3 1.0 N A:THR28 5.0 8.5 1.0

Calcium binding site 2 out of 5 in the The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:10.8 occ:1.00 OD1 A:ASP56 2.3 11.2 1.0 OD1 A:ASN60 2.4 10.0 1.0 O A:THR62 2.4 8.6 1.0 O A:HOH2127 2.4 10.0 1.0 OD1 A:ASP58 2.4 10.3 1.0 OE1 A:GLU67 2.5 9.0 1.0 OE2 A:GLU67 2.6 10.7 1.0 CD A:GLU67 2.9 9.1 1.0 O A:HOH2011 2.9 14.8 1.0 CG A:ASN60 3.3 9.0 1.0 CG A:ASP58 3.4 10.6 1.0 CG A:ASP56 3.4 12.1 1.0 C A:THR62 3.6 7.8 1.0 ND2 A:ASN60 3.8 10.1 1.0 OD2 A:ASP58 3.9 10.4 1.0 OD2 A:ASP56 4.3 13.2 1.0 CB A:ASP56 4.3 16.8 1.0 N A:ASP58 4.3 12.8 1.0 N A:THR62 4.3 9.1 1.0 CA A:ASP56 4.4 15.5 1.0 N A:ASN60 4.4 13.9 1.0 CA A:ILE63 4.4 7.2 1.0 CG A:GLU67 4.4 9.4 1.0 N A:ILE63 4.4 7.8 1.0 N A:ASP64 4.5 7.7 1.0 OG1 A:THR62 4.5 8.3 1.0 CB A:ASN60 4.5 15.7 1.0 CA A:THR62 4.5 8.4 1.0 C A:ASP56 4.6 12.4 1.0 CB A:ASP58 4.6 12.1 1.0 N A:ALA57 4.7 12.5 1.0 N A:GLY59 4.7 14.7 1.0 OD2 A:ASP64 4.7 11.3 1.0 CG A:ASP64 4.8 9.1 1.0 O A:HOH2008 4.8 13.7 1.0 CA A:ASN60 4.8 15.6 1.0 C A:ILE63 4.8 7.2 1.0 CA A:ASP58 4.9 12.2 1.0 N A:GLY61 4.9 11.7 1.0 C A:ASP58 5.0 14.2 1.0

Calcium binding site 3 out of 5 in the The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:10.8 occ:1.00 OD1 A:ASP129 2.3 11.8 1.0 OD1 A:ASP131 2.3 12.4 1.0 O A:HIS135 2.4 10.6 1.0 OD1 A:ASP133 2.4 12.2 1.0 O A:HOH2129 2.4 13.2 1.0 OE1 A:GLU140 2.4 11.3 1.0 OE2 A:GLU140 2.6 11.3 1.0 CD A:GLU140 2.9 10.3 1.0 CG A:ASP131 3.2 13.3 1.0 CG A:ASP133 3.3 13.0 1.0 CG A:ASP129 3.5 12.0 1.0 C A:HIS135 3.5 9.8 1.0 OD2 A:ASP131 3.5 16.0 1.0 OD2 A:ASP133 3.8 15.3 1.0 N A:ASP133 4.1 14.0 1.0 N A:HIS135 4.2 10.7 1.0 OD2 A:ASP129 4.2 12.9 1.0 N A:ASP131 4.3 12.6 1.0 N A:ILE136 4.3 10.0 0.3 N A:ILE136 4.3 9.9 0.7 CA A:HIS135 4.4 10.7 1.0 CG A:GLU140 4.4 11.6 1.0 CA A:ILE136 4.4 9.6 0.7 CA A:ILE136 4.4 9.6 0.3 N A:ASN137 4.4 10.1 1.0 CB A:ASP133 4.4 14.7 1.0 CA A:ASP129 4.4 11.0 1.0 N A:GLY132 4.4 13.6 1.0 CB A:ASP129 4.4 11.8 1.0 N A:ILE130 4.5 11.7 1.0 CB A:ASP131 4.5 13.9 1.0 CA A:ASP133 4.7 14.2 1.0 CA A:ASP131 4.7 14.1 1.0 N A:GLY134 4.7 12.8 1.0 CB A:HIS135 4.7 11.8 1.0 C A:ASP131 4.8 14.2 1.0 C A:ILE136 4.8 9.9 0.7 C A:ASP133 4.9 13.9 1.0 C A:ILE136 4.9 8.4 0.3 CD1 A:ILE136 4.9 14.8 0.7 C A:ASP129 4.9 12.4 1.0

Calcium binding site 4 out of 5 in the The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:10.9 occ:1.00 O A:HOH2126 2.4 13.8 1.0 O A:HOH2125 2.4 14.6 1.0 O A:HOH2123 2.4 11.3 1.0 O A:HOH2124 2.4 12.4 1.0 OE2 A:GLU47 2.4 15.9 1.0 OE1 A:GLU47 2.5 10.3 1.0 CD A:GLU47 2.8 10.6 1.0 CG A:GLU47 4.3 11.0 1.0 CA A:PRO43 4.4 9.8 0.4 O A:HOH2083 4.5 40.6 1.0 CA A:PRO43 4.6 8.4 0.6 N A:THR44 4.7 9.9 1.0 O A:ASN42 4.7 8.9 1.0 CG2 A:THR44 4.8 12.3 1.0 O A:HOH2146 4.8 41.1 1.0 O A:HOH2018 4.9 15.2 1.0 O A:HOH2176 4.9 45.3 1.0

Calcium binding site 5 out of 5 in the The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of The 1.0 Angstrom Crystal Structure of Ca+2 Bound Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1004 b:14.0 occ:1.00 O A:LEU99 2.3 17.2 1.0 OD1 A:ASP93 2.3 16.0 1.0 OD1 A:ASP95 2.3 17.5 1.0 O A:HOH2128 2.4 20.1 1.0 OD1 A:ASN97 2.4 17.9 1.0 OE1 A:GLU104 2.5 11.4 1.0 OE2 A:GLU104 2.5 14.1 1.0 CD A:GLU104 2.8 12.1 1.0 CG A:ASP95 3.3 17.9 1.0 CG A:ASN97 3.4 20.6 1.0 CG A:ASP93 3.5 14.6 1.0 C A:LEU99 3.5 13.8 1.0 OD2 A:ASP95 3.8 24.9 1.0 ND2 A:ASN97 4.1 23.1 1.0 N A:ASN97 4.2 21.4 1.0 N A:LEU99 4.2 15.6 1.0 N A:ASP95 4.2 16.0 1.0 OD2 A:ASP93 4.3 15.6 1.0 CA A:ASP93 4.3 12.4 1.0 CA A:LEU99 4.3 13.3 1.0 CG A:GLU104 4.3 11.2 1.0 C A:ASP93 4.4 13.8 1.0 N A:ILE100 4.4 10.6 0.9 CB A:ASP93 4.4 13.6 1.0 CB A:ASN97 4.4 24.9 1.0 CA A:ILE100 4.4 9.8 0.9 N A:ILE100 4.4 10.7 0.1 CB A:ASP95 4.5 19.6 1.0 O A:HOH2081 4.5 35.8 1.0 N A:SER101 4.5 9.9 1.0 CA A:ILE100 4.5 9.3 0.1 N A:ARG94 4.5 13.4 1.0 N A:GLY96 4.6 17.9 1.0 CA A:ASP95 4.7 17.8 1.0 CA A:ASN97 4.7 21.9 1.0 CB A:LEU99 4.7 14.9 1.0 C A:ASP95 4.8 19.2 1.0 N A:GLY98 4.8 19.3 1.0 CD1 A:ILE100 4.9 17.3 0.1 O A:ASP93 4.9 16.0 1.0 C A:ILE100 4.9 9.5 0.9 C A:ASN97 5.0 21.0 1.0 C A:ILE100 5.0 8.8 0.1

M.A.Wilson, A.T.Brunger. The 1.0 A Crystal Structure of Ca(2+)-Bound Calmodulin: An Analysis of Disorder and Implications For Functionally Relevant Plasticity J.Mol.Biol. V. 301 1237 2000.
ISSN: ISSN 0022-2836
PubMed: 10966818
DOI: 10.1006/JMBI.2000.4029