Calcium in PDB 2i08: Solvation Effect in Conformational Changes of Ef-Hand Proteins: X-Ray Structure of CA2+-Saturated Double Mutant Q41L-K75I of N-Domain of Calmodulin

The structure of Solvation Effect in Conformational Changes of Ef-Hand Proteins: X-Ray Structure of CA2+-Saturated Double Mutant Q41L-K75I of N-Domain of Calmodulin, PDB code: 2i08 was solved by A.Ababou, G.N.Parkinson, J.R.Desjarlais, S.Djordjevic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.73 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	38.400, 38.400, 81.200, 90.00, 90.00, 120.00
R / Rfree (%)	23.9 / 24.3

The binding sites of Calcium atom in the Solvation Effect in Conformational Changes of Ef-Hand Proteins: X-Ray Structure of CA2+-Saturated Double Mutant Q41L-K75I of N-Domain of Calmodulin (pdb code 2i08). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Solvation Effect in Conformational Changes of Ef-Hand Proteins: X-Ray Structure of CA2+-Saturated Double Mutant Q41L-K75I of N-Domain of Calmodulin, PDB code: 2i08:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Solvation Effect in Conformational Changes of Ef-Hand Proteins: X-Ray Structure of CA2+-Saturated Double Mutant Q41L-K75I of N-Domain of Calmodulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Solvation Effect in Conformational Changes of Ef-Hand Proteins: X-Ray Structure of CA2+-Saturated Double Mutant Q41L-K75I of N-Domain of Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca200 b:30.5 occ:1.00 OD1 A:ASP20 2.1 27.0 1.0 O A:THR26 2.4 29.3 1.0 OD1 A:ASP24 2.5 28.6 1.0 OE1 A:GLU31 2.6 31.1 1.0 OE2 A:GLU31 2.6 22.0 1.0 OD1 A:ASP22 2.6 30.5 1.0 CD A:GLU31 2.9 32.0 1.0 CG A:ASP20 3.3 24.8 1.0 CG A:ASP22 3.4 33.1 1.0 CG A:ASP24 3.6 38.0 1.0 C A:THR26 3.6 26.4 1.0 OD2 A:ASP22 3.7 35.8 1.0 OD2 A:ASP20 4.1 30.3 1.0 CB A:ASP20 4.2 24.8 1.0 N A:THR26 4.2 30.2 1.0 N A:ASP24 4.2 36.8 1.0 OD2 A:ASP24 4.2 35.1 1.0 CA A:ASP20 4.3 26.2 1.0 O A:HOH247 4.3 40.1 1.0 CG A:GLU31 4.4 26.0 1.0 CA A:THR26 4.5 31.9 1.0 CG2 A:THR26 4.5 37.2 1.0 N A:ILE27 4.5 26.2 1.0 CA A:ILE27 4.6 22.8 1.0 CB A:ASP24 4.6 35.2 1.0 CB A:ASP22 4.7 33.3 1.0 N A:ASP22 4.7 38.1 1.0 N A:GLY25 4.7 32.3 1.0 CA A:ASP24 4.7 35.0 1.0 O A:HOH239 4.7 28.9 1.0 C A:ASP20 4.7 31.6 1.0 N A:GLY23 4.7 36.4 1.0 C A:ASP24 4.8 35.2 1.0 CG2 A:THR28 4.9 30.2 1.0 N A:LYS21 4.9 34.9 1.0 N A:THR28 4.9 23.4 1.0

Calcium binding site 2 out of 2 in the Solvation Effect in Conformational Changes of Ef-Hand Proteins: X-Ray Structure of CA2+-Saturated Double Mutant Q41L-K75I of N-Domain of Calmodulin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Solvation Effect in Conformational Changes of Ef-Hand Proteins: X-Ray Structure of CA2+-Saturated Double Mutant Q41L-K75I of N-Domain of Calmodulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:23.7 occ:1.00 O A:THR62 2.4 23.8 1.0 OD1 A:ASP56 2.4 26.1 1.0 OE1 A:GLU67 2.4 19.6 1.0 OD1 A:ASN60 2.4 26.4 1.0 OE2 A:GLU67 2.5 19.6 1.0 OD1 A:ASP58 2.6 27.4 1.0 O A:HOH208 2.7 37.5 1.0 CD A:GLU67 2.8 28.5 1.0 CG A:ASN60 3.4 26.5 1.0 CG A:ASP58 3.5 28.1 1.0 CG A:ASP56 3.6 24.6 1.0 C A:THR62 3.6 22.5 1.0 OD2 A:ASP58 3.9 27.9 1.0 ND2 A:ASN60 4.0 30.4 1.0 CA A:ASP56 4.3 25.5 1.0 N A:THR62 4.3 22.0 1.0 N A:ASN60 4.3 22.5 1.0 OD2 A:ASP56 4.3 24.1 1.0 CG A:GLU67 4.3 21.8 1.0 N A:ASP64 4.4 24.4 1.0 CA A:ILE63 4.4 22.5 1.0 N A:ILE63 4.4 22.0 1.0 O A:HOH229 4.4 41.9 1.0 CB A:ASP56 4.4 24.6 1.0 N A:ASP58 4.5 22.6 1.0 CB A:ASN60 4.5 26.0 1.0 CA A:THR62 4.6 22.7 1.0 C A:ASP56 4.6 26.6 1.0 O A:HOH210 4.6 34.9 1.0 CB A:ASP58 4.7 24.9 1.0 N A:GLY61 4.7 23.5 1.0 N A:ALA57 4.7 25.2 1.0 CG A:ASP64 4.8 26.4 1.0 CA A:ASN60 4.8 23.3 1.0 N A:GLY59 4.8 21.7 1.0 C A:ILE63 4.8 24.9 1.0 OD2 A:ASP64 4.8 33.6 1.0 OG1 A:THR62 4.9 26.0 1.0 CA A:ASP58 4.9 23.9 1.0 C A:ASN60 4.9 23.2 1.0 OD1 A:ASP64 5.0 31.6 1.0

A.Ababou, G.N.Parkinson, J.R.Desjarlais, S.Djordjevic. Solvation Effect in Conformational Changes of Ef-Hand Proteins: X-Ray Structure of Double Mutant Q41L-K75I of N-Domain of Calmodulin To Be Published.