Calcium in PDB 3bxl: Crystal Structure of the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex

The structure of Crystal Structure of the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex, PDB code: 3bxl was solved by M.X.Mori, C.W.Vander Kooi, D.J.Leahy, D.T.Yue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.30
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	124.606, 124.606, 74.024, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 26.2

The binding sites of Calcium atom in the Crystal Structure of the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex (pdb code 3bxl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex, PDB code: 3bxl:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex


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 the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca149 b:36.8 occ:1.00 O A:TYR99 2.3 32.8 1.0 OD1 A:ASP93 2.3 36.8 1.0 OD1 A:ASN97 2.4 37.8 1.0 OE1 A:GLU104 2.4 35.9 1.0 OD2 A:ASP95 2.4 38.5 1.0 O A:HOH239 2.4 40.1 1.0 OE2 A:GLU104 2.5 34.9 1.0 CD A:GLU104 2.8 36.8 1.0 CG A:ASP95 3.3 37.5 1.0 CG A:ASN97 3.5 36.7 1.0 C A:TYR99 3.5 33.1 1.0 CG A:ASP93 3.5 36.2 1.0 OD1 A:ASP95 3.6 37.8 1.0 N A:ASN97 4.2 36.0 1.0 CA A:ASP93 4.2 36.0 1.0 O A:HOH252 4.2 44.7 1.0 N A:TYR99 4.2 32.8 1.0 ND2 A:ASN97 4.2 34.9 1.0 CG A:GLU104 4.3 38.6 1.0 N A:ASP95 4.3 37.4 1.0 CB A:ASP93 4.4 36.2 1.0 N A:ILE100 4.4 33.8 1.0 OD2 A:ASP93 4.4 36.2 1.0 CB A:ASN97 4.4 35.8 1.0 CA A:TYR99 4.4 32.7 1.0 CA A:ILE100 4.4 34.8 1.0 C A:ASP93 4.4 36.2 1.0 CB A:ASP95 4.5 37.3 1.0 N A:GLY96 4.5 37.1 1.0 N A:SER101 4.6 36.5 1.0 N A:LYS94 4.6 36.8 1.0 CA A:ASN97 4.7 35.7 1.0 CA A:ASP95 4.8 37.3 1.0 O A:HOH157 4.8 51.1 1.0 N A:GLY98 4.8 34.4 1.0 C A:ASP95 4.9 37.2 1.0 O A:ASP93 4.9 36.3 1.0 CB A:TYR99 5.0 31.9 1.0 C A:ILE100 5.0 35.5 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex


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 the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:37.9 occ:1.00 O A:GLN135 2.3 37.6 1.0 OD2 A:ASP129 2.4 47.2 1.0 OD1 A:ASP131 2.4 40.2 1.0 O A:HOH161 2.4 30.1 1.0 OD1 A:ASP133 2.4 39.4 1.0 OE1 A:GLU140 2.4 36.5 1.0 OE2 A:GLU140 2.7 38.0 1.0 CD A:GLU140 2.9 38.1 1.0 C A:GLN135 3.3 38.0 1.0 CG A:ASP131 3.4 41.8 1.0 CG A:ASP133 3.4 39.4 1.0 CG A:ASP129 3.4 48.2 1.0 OD2 A:ASP131 3.8 39.3 1.0 OD2 A:ASP133 3.9 38.2 1.0 N A:GLN135 4.1 39.1 1.0 N A:VAL136 4.2 37.6 1.0 N A:ASP133 4.2 41.2 1.0 CA A:ASP129 4.2 48.6 1.0 CA A:VAL136 4.2 36.9 1.0 N A:ASP131 4.3 45.3 1.0 CB A:ASP129 4.3 48.5 1.0 OD1 A:ASP129 4.3 47.2 1.0 CA A:GLN135 4.3 38.6 1.0 N A:ASN137 4.4 36.8 1.0 N A:GLY132 4.4 43.1 1.0 CG A:GLU140 4.4 39.0 1.0 N A:ILE130 4.5 47.6 1.0 CB A:ASP133 4.5 40.3 1.0 CB A:ASP131 4.6 43.6 1.0 C A:ASP129 4.6 48.2 1.0 OD1 A:ASN137 4.7 37.1 1.0 CB A:GLN135 4.7 38.7 1.0 CA A:ASP133 4.7 40.5 1.0 C A:VAL136 4.8 36.7 1.0 CA A:ASP131 4.8 44.0 1.0 N A:GLY134 4.8 39.9 1.0 CG A:ASN137 4.8 37.2 1.0 C A:ASP133 4.9 40.2 1.0 C A:ASP131 5.0 43.7 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca151 b:35.9 occ:1.00 O A:THR26 2.3 35.4 1.0 OD1 A:ASP20 2.4 37.2 1.0 OD2 A:ASP24 2.4 36.2 1.0 OD1 A:ASP22 2.5 42.3 1.0 OE2 A:GLU31 2.5 33.9 1.0 OE1 A:GLU31 2.6 35.0 1.0 O A:HOH173 2.6 46.7 1.0 CD A:GLU31 2.9 34.0 1.0 CG A:ASP24 3.3 37.7 1.0 CG A:ASP22 3.4 40.6 1.0 C A:THR26 3.5 34.9 1.0 CG A:ASP20 3.6 37.8 1.0 OD2 A:ASP22 3.6 40.9 1.0 OD1 A:ASP24 3.9 37.0 1.0 N A:ASP24 4.1 37.8 1.0 N A:THR26 4.1 35.7 1.0 OG1 A:THR26 4.2 35.8 1.0 CA A:ASP20 4.3 37.6 1.0 CB A:ASP24 4.3 37.5 1.0 CA A:THR26 4.4 35.3 1.0 CB A:ASP20 4.4 37.6 1.0 CG A:GLU31 4.4 33.1 1.0 OD2 A:ASP20 4.4 38.3 1.0 N A:ILE27 4.5 34.3 1.0 O A:HOH264 4.5 52.0 1.0 CA A:ILE27 4.5 33.2 1.0 C A:ASP20 4.5 38.5 1.0 N A:ASP22 4.6 39.7 1.0 N A:GLY23 4.6 39.0 1.0 CA A:ASP24 4.6 37.5 1.0 CB A:ASP22 4.6 39.4 1.0 N A:GLY25 4.7 37.0 1.0 N A:LYS21 4.8 39.2 1.0 N A:THR28 4.8 32.4 1.0 CG2 A:THR28 4.9 31.2 1.0 C A:ASP24 4.9 37.3 1.0 CA A:ASP22 4.9 39.5 1.0 CB A:THR26 4.9 35.3 1.0 C A:ASP22 5.0 39.3 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the R-Type Calcium Channel (CAV2.3) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca152 b:32.9 occ:1.00 OD1 A:ASN60 2.4 35.6 1.0 O A:HOH168 2.5 27.5 1.0 OD1 A:ASP56 2.5 32.9 1.0 OE1 A:GLU67 2.5 29.9 1.0 O A:THR62 2.5 27.9 1.0 O A:HOH242 2.5 37.4 1.0 OE2 A:GLU67 2.6 30.0 1.0 OD1 A:ASP58 2.7 36.6 1.0 CD A:GLU67 2.9 28.3 1.0 CG A:ASN60 3.3 35.2 1.0 CG A:ASP56 3.4 32.5 1.0 ND2 A:ASN60 3.6 35.7 1.0 C A:THR62 3.6 27.8 1.0 CG A:ASP58 3.7 35.6 1.0 OD2 A:ASP58 4.0 37.3 1.0 OD2 A:ASP56 4.2 33.6 1.0 CB A:ASP56 4.3 31.6 1.0 CA A:ASP56 4.3 31.7 1.0 CA A:ILE63 4.4 27.2 1.0 OG1 A:THR62 4.4 28.9 1.0 N A:ILE63 4.4 27.3 1.0 CG A:GLU67 4.4 27.7 1.0 N A:ASP64 4.4 26.9 1.0 N A:THR62 4.5 29.2 1.0 N A:ASN60 4.5 34.1 1.0 CB A:ASN60 4.6 34.2 1.0 O A:HOH244 4.6 49.2 1.0 OD1 A:ASP64 4.6 30.1 1.0 CA A:THR62 4.6 28.2 1.0 N A:ASP58 4.6 33.8 1.0 N A:ALA57 4.7 32.0 1.0 C A:ASP56 4.7 32.1 1.0 CG A:ASP64 4.8 27.1 1.0 C A:ILE63 4.8 27.0 1.0 O A:HOH231 4.9 30.8 1.0 CA A:ASN60 5.0 33.7 1.0 N A:GLY59 5.0 34.4 1.0 CB A:ASP58 5.0 34.6 1.0

M.X.Mori, C.W.Vander Kooi, D.J.Leahy, D.T.Yue. Crystal Structure of the CAV2 Iq Domain in Complex with CA2+/Calmodulin To Be Published.