Calcium in PDB 2f3y: Calmodulin/Iq Domain Complex

The structure of Calmodulin/Iq Domain Complex, PDB code: 2f3y was solved by J.L.Fallon, F.A.Quiocho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.37 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.200, 30.960, 63.940, 90.00, 114.54, 90.00
R / Rfree (%)	18.9 / 21.9

The structure of Calmodulin/Iq Domain Complex also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium atom in the Calmodulin/Iq Domain Complex (pdb code 2f3y). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Calmodulin/Iq Domain Complex, PDB code: 2f3y:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Calmodulin/Iq Domain Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calmodulin/Iq Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1172 b:8.1 occ:1.00 OD1 A:ASP129 2.2 11.2 1.0 O A:GLN135 2.3 11.0 1.0 OD2 A:ASP131 2.3 10.8 1.0 OD2 A:ASP133 2.4 10.3 1.0 OE2 A:GLU140 2.5 8.2 1.0 O A:HOH1195 2.5 10.8 1.0 OE1 A:GLU140 2.6 8.8 1.0 CD A:GLU140 2.9 9.7 1.0 CG A:ASP131 3.2 10.6 1.0 CG A:ASP133 3.3 10.9 1.0 CG A:ASP129 3.4 12.9 1.0 C A:GLN135 3.5 10.7 1.0 OD1 A:ASP131 3.5 13.7 1.0 OD1 A:ASP133 3.7 11.2 1.0 N A:ASP133 4.1 12.8 1.0 CA A:ASP129 4.2 12.0 1.0 N A:GLN135 4.2 12.6 1.0 OD2 A:ASP129 4.2 15.7 1.0 CB A:ASP129 4.3 11.6 1.0 N A:ASP131 4.3 10.2 1.0 CA A:VAL136 4.4 9.0 1.0 N A:VAL136 4.4 10.2 1.0 CB A:ASP133 4.4 12.6 1.0 CG A:GLU140 4.4 7.5 1.0 N A:ASN137 4.4 9.1 1.0 N A:GLY132 4.4 11.7 1.0 CB A:ASP131 4.5 10.9 1.0 CA A:GLN135 4.5 12.1 1.0 C A:ASP129 4.5 11.9 1.0 CA A:ASP133 4.7 13.5 1.0 CA A:ASP131 4.7 11.6 1.0 N A:ILE130 4.7 10.1 1.0 N A:GLY134 4.7 12.0 1.0 C A:ASP131 4.8 11.7 1.0 CG A:GLN135 4.8 17.8 1.0 ND2 A:ASN137 4.9 11.9 1.0 C A:VAL136 4.9 9.4 1.0 CG A:ASN137 4.9 10.9 1.0 O A:ASP129 5.0 12.7 1.0 C A:ASP133 5.0 13.5 1.0

Calcium binding site 2 out of 4 in the Calmodulin/Iq Domain Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calmodulin/Iq Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1173 b:6.8 occ:1.00 O A:TYR99 2.2 11.6 1.0 OD2 A:ASP93 2.3 8.8 1.0 OD1 A:ASP95 2.3 7.7 1.0 OD1 A:ASN97 2.4 8.8 1.0 O A:HOH1182 2.4 8.9 1.0 OE2 A:GLU104 2.5 6.6 1.0 OE1 A:GLU104 2.5 7.6 1.0 CD A:GLU104 2.8 7.4 1.0 CG A:ASP95 3.3 9.4 1.0 CG A:ASN97 3.4 7.6 1.0 C A:TYR99 3.5 8.3 1.0 CG A:ASP93 3.5 8.4 1.0 OD2 A:ASP95 3.7 11.6 1.0 ND2 A:ASN97 4.0 7.7 1.0 CA A:ASP93 4.1 7.8 1.0 N A:TYR99 4.1 7.3 1.0 N A:ASN97 4.3 8.8 1.0 CA A:TYR99 4.3 7.8 1.0 CG A:GLU104 4.3 7.5 1.0 CB A:ASP93 4.3 8.6 1.0 OD1 A:ASP93 4.4 8.5 1.0 N A:ASP95 4.4 9.4 1.0 N A:ILE100 4.4 7.1 1.0 CA A:ILE100 4.5 6.4 1.0 CB A:ASN97 4.5 7.8 1.0 C A:ASP93 4.5 7.9 1.0 O A:HOH1188 4.5 8.9 1.0 CB A:ASP95 4.6 9.7 1.0 N A:SER101 4.7 6.2 1.0 N A:LYS94 4.7 8.1 1.0 O A:HOH1220 4.7 16.8 1.0 N A:GLY96 4.7 9.8 1.0 CB A:TYR99 4.7 7.8 1.0 CA A:ASN97 4.8 8.2 1.0 N A:GLY98 4.9 8.7 1.0 CA A:ASP95 4.9 9.2 1.0 C A:ASP95 5.0 10.2 1.0

Calcium binding site 3 out of 4 in the Calmodulin/Iq Domain Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calmodulin/Iq Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1174 b:9.2 occ:1.00 OD1 A:ASP56 2.3 9.6 1.0 OD1 A:ASN60 2.4 12.3 1.0 O A:HOH1200 2.4 11.4 1.0 O A:THR62 2.5 9.7 1.0 O A:HOH1198 2.5 12.8 1.0 OD1 A:ASP58 2.5 10.3 1.0 OE2 A:GLU67 2.5 9.4 1.0 OE1 A:GLU67 2.6 9.7 1.0 CD A:GLU67 2.9 10.4 1.0 CG A:ASN60 3.2 15.0 1.0 CG A:ASP56 3.4 10.7 1.0 CG A:ASP58 3.5 11.2 1.0 ND2 A:ASN60 3.5 16.3 1.0 C A:THR62 3.6 8.4 1.0 OD2 A:ASP58 3.8 13.2 1.0 CB A:ASP56 4.2 10.0 1.0 OD2 A:ASP56 4.3 11.8 1.0 CA A:ASP56 4.3 10.5 1.0 N A:ASN60 4.3 11.5 1.0 CG A:GLU67 4.4 9.5 1.0 OG1 A:THR62 4.4 10.0 1.0 N A:THR62 4.4 8.8 1.0 CA A:ILE63 4.4 8.5 1.0 N A:ASP64 4.4 9.9 1.0 N A:ILE63 4.5 9.2 1.0 CB A:ASN60 4.5 13.4 1.0 N A:ASP58 4.5 12.5 1.0 OD2 A:ASP64 4.6 11.6 1.0 CA A:THR62 4.6 9.4 1.0 C A:ASP56 4.6 10.6 1.0 O A:HOH1242 4.7 18.0 1.0 CB A:ASP58 4.7 12.2 1.0 N A:GLY59 4.8 12.4 1.0 CG A:ASP64 4.8 11.1 1.0 CA A:ASN60 4.8 12.4 1.0 C A:ILE63 4.8 10.1 1.0 N A:ALA57 4.9 11.1 1.0 O A:HOH1204 5.0 12.5 1.0 CA A:ASP58 5.0 13.2 1.0

Calcium binding site 4 out of 4 in the Calmodulin/Iq Domain Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Calmodulin/Iq Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1175 b:10.6 occ:1.00 OD2 A:ASP20 2.3 14.1 1.0 OD1 A:ASP24 2.3 15.4 1.0 O A:THR26 2.3 13.5 1.0 OD2 A:ASP22 2.4 13.6 1.0 O A:HOH1209 2.4 15.0 1.0 OE1 A:GLU31 2.4 11.3 1.0 OE2 A:GLU31 2.6 12.4 1.0 CD A:GLU31 2.8 12.8 1.0 CG A:ASP24 3.2 16.7 1.0 CG A:ASP22 3.3 17.6 1.0 CG A:ASP20 3.4 13.5 1.0 C A:THR26 3.5 12.1 1.0 OD1 A:ASP22 3.7 18.5 1.0 OD2 A:ASP24 3.9 19.2 1.0 N A:ASP24 4.1 16.3 1.0 N A:THR26 4.1 11.7 1.0 CA A:ASP20 4.2 14.0 1.0 OG1 A:THR26 4.2 17.1 1.0 CB A:ASP24 4.2 16.8 1.0 OD1 A:ASP20 4.3 14.6 1.0 CG A:GLU31 4.3 12.0 1.0 CB A:ASP20 4.3 13.6 1.0 CA A:THR26 4.4 11.7 1.0 N A:ASP22 4.4 18.5 1.0 C A:ASP20 4.4 15.6 1.0 N A:ILE27 4.5 9.3 1.0 N A:GLY23 4.6 17.7 1.0 CA A:ILE27 4.6 9.0 1.0 CA A:ASP24 4.6 16.1 1.0 CB A:ASP22 4.6 17.4 1.0 N A:LYS21 4.7 17.0 1.0 N A:GLY25 4.7 14.8 1.0 CG2 A:THR28 4.7 10.8 1.0 CA A:ASP22 4.8 18.3 1.0 O A:ASP20 4.9 15.7 1.0 N A:THR28 4.9 8.7 1.0 C A:ASP24 4.9 16.3 1.0 O A:HOH1363 4.9 27.6 1.0 C A:ASP22 4.9 18.0 1.0 CB A:THR26 4.9 13.4 1.0

J.L.Fallon, D.B.Halling, S.L.Hamilton, F.A.Quiocho. Structure of Calmodulin Bound to the Hydrophobic Iq Domain of the Cardiac Ca(V)1.2 Calcium Channel. Structure V. 13 1881 2005.
ISSN: ISSN 0969-2126
PubMed: 16338416
DOI: 10.1016/J.STR.2005.09.021