Calcium in PDB 3b32: Crystal Structure of Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-75

The structure of Crystal Structure of Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-75, PDB code: 3b32 was solved by R.A.Newman, M.A.Shea, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.24 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.352, 66.096, 57.823, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 26.9

The binding sites of Calcium atom in the Crystal Structure of Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-75 (pdb code 3b32). 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 Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-75, PDB code: 3b32:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-75


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 Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-75 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca76 b:9.7 occ:1.00 OD2 A:ASP20 2.3 9.6 1.0 OD2 A:ASP24 2.4 12.3 1.0 O A:THR26 2.4 10.5 1.0 OD1 A:ASP22 2.4 11.0 1.0 OE2 A:GLU31 2.5 8.9 1.0 OE1 A:GLU31 2.5 9.7 1.0 O A:HOH95 2.5 9.6 1.0 CD A:GLU31 2.8 11.5 1.0 CG A:ASP22 3.3 12.3 1.0 CG A:ASP24 3.4 14.6 1.0 CG A:ASP20 3.4 10.4 1.0 C A:THR26 3.6 11.6 1.0 OD2 A:ASP22 3.7 13.9 1.0 OD1 A:ASP24 4.1 16.8 1.0 CA A:ASP20 4.1 8.9 1.0 N A:ASP24 4.2 13.3 1.0 N A:THR26 4.2 12.6 1.0 CB A:ASP20 4.2 8.6 1.0 CG A:GLU31 4.3 10.2 1.0 CB A:ASP24 4.3 14.3 1.0 OD1 A:ASP20 4.4 9.5 1.0 C A:ASP20 4.4 9.0 1.0 O A:HOH104 4.4 20.2 1.0 CA A:THR26 4.5 12.2 1.0 N A:ASP22 4.5 11.3 1.0 N A:ILE27 4.5 10.6 1.0 CG2 A:THR26 4.5 14.7 1.0 O A:HOH85 4.6 10.7 1.0 CA A:ILE27 4.6 10.3 1.0 CB A:ASP22 4.6 11.7 1.0 CA A:ASP24 4.6 13.8 1.0 N A:GLY23 4.7 12.2 1.0 N A:GLY25 4.8 13.9 1.0 N A:LYS21 4.8 9.9 1.0 CG2 A:THR28 4.8 7.2 1.0 O A:ASP20 4.9 9.8 1.0 N A:THR28 4.9 8.6 1.0 CA A:ASP22 4.9 11.9 1.0 C A:ASP24 4.9 14.2 1.0 C A:ASP22 5.0 12.2 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-75


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 Calcium-Saturated Calmodulin N-Terminal Domain Fragment, Residues 1-75 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca77 b:11.6 occ:1.00 OD2 A:ASP56 2.2 15.7 1.0 O A:HOH112 2.3 25.7 1.0 O A:THR62 2.4 11.4 1.0 OD2 A:ASP58 2.4 13.9 1.0 OE1 A:GLU67 2.5 12.7 1.0 OD1 A:ASN60 2.5 11.1 1.0 OE2 A:GLU67 2.5 11.1 1.0 CD A:GLU67 2.9 11.9 1.0 CG A:ASP58 3.4 16.3 1.0 CG A:ASN60 3.4 13.7 1.0 CG A:ASP56 3.4 14.8 1.0 C A:THR62 3.6 12.3 1.0 OD1 A:ASP58 3.9 19.2 1.0 ND2 A:ASN60 3.9 17.4 1.0 O A:HOH149 4.2 28.9 1.0 N A:ASN60 4.2 14.7 1.0 CA A:ASP56 4.3 13.8 1.0 N A:ASP64 4.3 11.1 1.0 CB A:ASP56 4.3 13.9 1.0 N A:THR62 4.3 13.4 1.0 OD1 A:ASP56 4.3 15.8 1.0 N A:ASP58 4.4 14.3 1.0 CG A:GLU67 4.4 12.3 1.0 CA A:ILE63 4.5 10.9 1.0 N A:ILE63 4.5 10.9 1.0 C A:ASP56 4.5 13.8 1.0 CB A:ASN60 4.5 13.9 1.0 CB A:ASP58 4.5 16.1 1.0 CA A:THR62 4.6 12.7 1.0 N A:GLY59 4.6 15.2 1.0 OG1 A:THR62 4.7 11.8 1.0 N A:ALA57 4.7 13.1 1.0 N A:GLY61 4.7 14.0 1.0 CA A:ASP58 4.7 15.1 1.0 C A:ILE63 4.8 11.3 1.0 CA A:ASN60 4.8 14.1 1.0 C A:ASP58 4.8 15.5 1.0 CG A:ASP64 4.9 16.1 1.0 O A:HOH94 4.9 26.6 1.0 OD1 A:ASP64 4.9 18.4 1.0 C A:ASN60 5.0 14.2 1.0

S.E.O'donnell, R.A.Newman, T.J.Witt, R.Hultman, J.R.Froehlig, A.P.Christensen, M.A.Shea. Thermodynamics and Conformational Change Governing Domain-Domain Interactions of Calmodulin. Methods Enzymol. V. 466 503 2009.
ISSN: ISSN 0076-6879
PubMed: 21609874
DOI: 10.1016/S0076-6879(09)66021-3