Calcium in PDB 3bxk: Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex

The structure of Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex, PDB code: 3bxk 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)	24.87 / 2.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	80.655, 80.431, 63.837, 90.00, 97.56, 90.00
R / Rfree (%)	21.3 / 26.7

The binding sites of Calcium atom in the Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex (pdb code 3bxk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex, PDB code: 3bxk:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) 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 P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca149 b:41.9 occ:1.00 O A:HOH156 2.1 48.6 1.0 OD1 A:ASP93 2.2 40.5 1.0 O A:TYR99 2.2 41.6 1.0 OD2 A:ASP95 2.4 46.9 1.0 OD1 A:ASN97 2.4 37.7 1.0 OE1 A:GLU104 2.5 49.2 1.0 OE2 A:GLU104 2.6 48.2 1.0 CD A:GLU104 2.9 48.7 1.0 CG A:ASP93 3.4 44.2 1.0 C A:TYR99 3.4 41.5 1.0 CG A:ASN97 3.4 36.9 1.0 CG A:ASP95 3.5 46.5 1.0 OD1 A:ASP95 4.0 48.6 1.0 ND2 A:ASN97 4.1 32.5 1.0 N A:TYR99 4.2 40.1 1.0 CA A:ASP93 4.2 45.9 1.0 N A:ASN97 4.2 40.1 1.0 OD2 A:ASP93 4.2 42.5 1.0 CB A:ASP93 4.3 45.2 1.0 CA A:TYR99 4.4 40.7 1.0 N A:ILE100 4.4 42.1 1.0 N A:ASP95 4.4 46.9 1.0 CG A:GLU104 4.4 50.1 1.0 C A:ASP93 4.4 46.8 1.0 CA A:ILE100 4.4 42.2 1.0 CB A:ASN97 4.5 38.0 1.0 N A:LYS94 4.5 47.3 1.0 N A:SER101 4.6 43.8 1.0 N A:GLY96 4.6 42.6 1.0 CB A:ASP95 4.7 45.1 1.0 N A:GLY98 4.7 38.5 1.0 CA A:ASN97 4.8 39.0 1.0 CB A:TYR99 4.8 40.1 1.0 CA A:ASP95 4.8 45.8 1.0 C A:ASP95 4.9 44.9 1.0 O A:HOH164 5.0 56.5 1.0

Calcium binding site 2 out of 8 in the Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) 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 P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca150 b:46.0 occ:1.00 OD1 A:ASP131 2.3 49.6 1.0 OD2 A:ASP129 2.3 57.2 1.0 O A:HOH154 2.4 42.0 1.0 OD1 A:ASP133 2.4 52.7 1.0 OE2 A:GLU140 2.4 52.3 1.0 O A:GLN135 2.4 45.8 1.0 OE1 A:GLU140 2.6 52.5 1.0 CD A:GLU140 2.9 52.2 1.0 CG A:ASP133 3.3 49.1 1.0 CG A:ASP131 3.4 53.8 1.0 CG A:ASP129 3.5 59.9 1.0 C A:GLN135 3.6 45.3 1.0 OD2 A:ASP133 3.6 43.6 1.0 OD2 A:ASP131 3.8 51.2 1.0 OD1 A:ASP129 4.2 58.7 1.0 N A:ASP133 4.2 51.7 1.0 N A:GLN135 4.3 45.8 1.0 N A:ASP131 4.3 57.9 1.0 CG A:GLU140 4.4 51.2 1.0 N A:GLY132 4.5 53.9 1.0 CA A:ASP129 4.5 61.7 1.0 CB A:ASP133 4.5 50.4 1.0 N A:VAL136 4.5 45.1 1.0 CA A:VAL136 4.5 45.3 1.0 N A:ASN137 4.5 46.9 1.0 CB A:ASP129 4.5 61.4 1.0 CA A:GLN135 4.6 45.5 1.0 CG A:GLN135 4.6 45.5 1.0 CB A:ASP131 4.6 55.0 1.0 N A:ILE130 4.6 60.4 1.0 N A:GLY134 4.7 49.6 1.0 CA A:ASP133 4.7 50.7 1.0 CA A:ASP131 4.7 55.3 1.0 C A:ASP131 4.8 54.7 1.0 ND2 A:ASN137 4.8 46.5 1.0 C A:ASP129 4.9 61.6 1.0 C A:ASP133 4.9 50.5 1.0 C A:VAL136 5.0 46.0 1.0 CG A:ASN137 5.0 47.4 1.0

Calcium binding site 3 out of 8 in the Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) 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 P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca151 b:76.1 occ:1.00 O A:THR26 2.2 70.2 1.0 OD1 A:ASP20 2.3 72.8 1.0 OD1 A:ASP22 2.4 76.2 1.0 O A:HOH169 2.4 86.4 1.0 OD2 A:ASP24 2.5 78.8 1.0 OE1 A:GLU31 2.7 62.0 1.0 OE2 A:GLU31 2.8 61.3 1.0 CD A:GLU31 3.1 62.6 1.0 CG A:ASP22 3.1 75.7 1.0 OD2 A:ASP22 3.2 73.7 1.0 CG A:ASP24 3.3 76.8 1.0 C A:THR26 3.4 70.5 1.0 CG A:ASP20 3.5 72.3 1.0 OD1 A:ASP24 3.7 78.7 1.0 OG1 A:THR26 3.9 71.8 1.0 N A:THR26 3.9 71.6 1.0 CA A:THR26 4.1 71.1 1.0 CA A:ASP20 4.2 71.7 1.0 N A:ASP24 4.3 75.1 1.0 CB A:ASP20 4.3 72.0 1.0 CB A:ASP24 4.3 75.6 1.0 OD2 A:ASP20 4.4 72.0 1.0 N A:ILE27 4.4 69.7 1.0 C A:ASP20 4.5 72.7 1.0 N A:ASP22 4.5 76.0 1.0 CB A:ASP22 4.5 75.7 1.0 CB A:THR26 4.5 71.2 1.0 CG A:GLU31 4.6 64.3 1.0 N A:GLY25 4.6 74.2 1.0 N A:LYS21 4.6 74.0 1.0 N A:GLY23 4.6 76.1 1.0 CA A:ILE27 4.7 68.5 1.0 CA A:ASP24 4.7 75.2 1.0 CA A:ASP22 4.9 76.0 1.0 N A:THR28 4.9 68.6 1.0

Calcium binding site 4 out of 8 in the Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) 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 P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca152 b:84.8 occ:1.00 OD1 A:ASN60 2.2 86.3 1.0 O A:THR62 2.4 77.2 1.0 OD1 A:ASP56 2.7 89.4 1.0 OE2 A:GLU67 2.7 71.8 1.0 OE1 A:GLU67 2.7 71.1 1.0 OD1 A:ASP58 3.1 90.2 1.0 CD A:GLU67 3.1 70.6 1.0 CG A:ASN60 3.2 86.5 1.0 O A:HOH178 3.4 0.0 1.0 C A:THR62 3.6 77.0 1.0 CG A:ASP58 3.6 90.6 1.0 CG A:ASP56 3.8 90.5 1.0 ND2 A:ASN60 3.8 86.6 1.0 CB A:ASP58 3.8 90.5 1.0 OD2 A:ASP56 4.2 91.1 1.0 OG1 A:THR62 4.2 79.4 1.0 N A:ASP58 4.3 90.6 1.0 N A:THR62 4.4 80.0 1.0 CA A:THR62 4.5 78.4 1.0 CB A:ASN60 4.5 86.2 1.0 N A:ILE63 4.5 75.2 1.0 OD2 A:ASP58 4.5 90.7 1.0 CG A:GLU67 4.6 68.0 1.0 CA A:ILE63 4.6 73.5 1.0 N A:ASN60 4.6 87.0 1.0 N A:ASP64 4.6 71.5 1.0 OD1 A:ASP64 4.6 75.0 1.0 CA A:ASP58 4.6 90.4 1.0 N A:ALA57 4.7 91.0 1.0 CA A:ASN60 4.9 86.2 1.0 N A:GLY59 4.9 89.6 1.0 CG A:ASP64 5.0 72.6 1.0 CB A:THR62 5.0 78.4 1.0 C A:ILE63 5.0 72.6 1.0 CB A:ASP56 5.0 90.7 1.0

Calcium binding site 5 out of 8 in the Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) 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 5 of Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca149 b:73.8 occ:1.00 OD1 C:ASP20 2.1 71.6 1.0 O C:THR26 2.3 70.1 1.0 OE1 C:GLU31 2.5 69.4 1.0 O C:HOH161 2.5 82.2 1.0 OD1 C:ASP22 2.6 73.4 1.0 OE2 C:GLU31 2.6 67.0 1.0 OD2 C:ASP24 2.8 77.7 1.0 CD C:GLU31 2.9 68.5 1.0 CG C:ASP22 3.4 75.2 1.0 CG C:ASP20 3.4 71.1 1.0 CG C:ASP24 3.5 75.9 1.0 C C:THR26 3.5 69.8 1.0 OD2 C:ASP22 3.6 73.8 1.0 OD1 C:ASP24 3.8 76.2 1.0 N C:THR26 4.1 70.8 1.0 CA C:ASP20 4.2 70.4 1.0 N C:ASP24 4.2 75.7 1.0 OD2 C:ASP20 4.3 70.1 1.0 CB C:ASP20 4.3 70.5 1.0 CA C:THR26 4.3 70.3 1.0 OG1 C:THR26 4.3 69.9 1.0 CG C:GLU31 4.4 68.5 1.0 N C:GLY23 4.4 76.1 1.0 N C:ASP22 4.4 75.3 1.0 C C:ASP20 4.4 71.7 1.0 CB C:ASP24 4.5 75.6 1.0 N C:ILE27 4.5 69.0 1.0 N C:LYS21 4.6 73.3 1.0 CB C:ASP22 4.7 75.4 1.0 CA C:ILE27 4.7 68.2 1.0 N C:GLY25 4.7 74.0 1.0 CA C:ASP24 4.8 75.3 1.0 CB C:THR26 4.9 70.4 1.0 CA C:ASP22 4.9 75.6 1.0 C C:ASP22 5.0 76.0 1.0

Calcium binding site 6 out of 8 in the Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) 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 6 of Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca150 b:80.1 occ:1.00 OD1 C:ASP56 2.3 81.3 1.0 OD1 C:ASN60 2.4 83.8 1.0 OE2 C:GLU67 2.4 73.2 1.0 OE1 C:GLU67 2.6 73.2 1.0 O C:THR62 2.8 77.7 1.0 CD C:GLU67 2.9 71.3 1.0 OD1 C:ASP58 3.0 85.7 1.0 CG C:ASN60 3.4 83.1 1.0 CG C:ASP56 3.5 83.7 1.0 CG C:ASP58 3.5 85.2 1.0 OD2 C:ASP58 3.5 84.9 1.0 C C:THR62 3.8 77.5 1.0 ND2 C:ASN60 3.9 83.5 1.0 OD2 C:ASP56 4.2 83.2 1.0 N C:ASN60 4.3 82.7 1.0 CG C:GLU67 4.4 69.8 1.0 CB C:ASP56 4.4 84.8 1.0 OD1 C:ASP64 4.5 69.8 1.0 N C:ASP58 4.5 84.9 1.0 CA C:ASP56 4.5 85.2 1.0 CA C:ILE63 4.5 74.7 1.0 N C:THR62 4.5 79.2 1.0 N C:ILE63 4.6 76.3 1.0 N C:ALA57 4.6 85.2 1.0 OG1 C:THR62 4.6 79.0 1.0 CB C:ASN60 4.6 82.5 1.0 N C:GLY59 4.6 84.4 1.0 N C:ASP64 4.7 72.2 1.0 CA C:THR62 4.7 78.3 1.0 C C:ASP56 4.7 85.3 1.0 CG C:ASP64 4.8 70.0 1.0 CB C:ASP58 4.8 84.9 1.0 CA C:ASN60 4.8 82.4 1.0 OD2 C:ASP64 4.9 69.3 1.0 CA C:ASP58 5.0 84.9 1.0 N C:GLY61 5.0 81.4 1.0

Calcium binding site 7 out of 8 in the Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) 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 7 of Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca151 b:48.9 occ:1.00 OD1 C:ASP133 2.2 54.1 1.0 OD2 C:ASP129 2.3 64.8 1.0 O C:GLN135 2.3 49.1 1.0 O C:HOH155 2.4 41.2 1.0 OD1 C:ASP131 2.4 59.7 1.0 OE1 C:GLU140 2.4 47.0 1.0 OE2 C:GLU140 2.5 47.6 1.0 CD C:GLU140 2.8 47.7 1.0 CG C:ASP133 3.3 55.5 1.0 CG C:ASP129 3.4 64.0 1.0 CG C:ASP131 3.5 59.4 1.0 C C:GLN135 3.5 49.4 1.0 OD2 C:ASP133 3.8 57.5 1.0 OD2 C:ASP131 3.9 56.9 1.0 OD1 C:ASP129 4.1 63.1 1.0 N C:ASP133 4.2 56.3 1.0 N C:GLN135 4.2 51.2 1.0 CA C:ASP129 4.3 64.3 1.0 N C:ASP131 4.3 62.0 1.0 CB C:ASP129 4.3 64.0 1.0 CG C:GLU140 4.4 48.1 1.0 N C:VAL136 4.4 48.5 1.0 CA C:VAL136 4.4 48.3 1.0 CB C:ASP133 4.5 55.0 1.0 N C:ASN137 4.5 46.5 1.0 N C:GLY132 4.5 59.5 1.0 CA C:GLN135 4.5 49.8 1.0 CB C:ASP131 4.7 60.5 1.0 N C:ILE130 4.7 64.0 1.0 CA C:ASP133 4.7 55.0 1.0 C C:ASP129 4.8 64.1 1.0 CA C:ASP131 4.8 60.9 1.0 N C:GLY134 4.8 53.6 1.0 CG C:GLN135 4.8 49.2 1.0 C C:ASP131 4.9 60.5 1.0 C C:VAL136 4.9 47.5 1.0 C C:ASP133 5.0 54.5 1.0

Calcium binding site 8 out of 8 in the Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) 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 8 of Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca152 b:40.7 occ:1.00 O C:TYR99 2.2 41.4 1.0 OD1 C:ASP93 2.3 48.6 1.0 OD1 C:ASN97 2.3 40.2 1.0 O C:HOH163 2.3 52.2 1.0 OD2 C:ASP95 2.4 46.7 1.0 OE2 C:GLU104 2.5 43.3 1.0 OE1 C:GLU104 2.6 42.4 1.0 CD C:GLU104 2.9 44.7 1.0 CG C:ASP93 3.4 45.8 1.0 CG C:ASN97 3.4 39.0 1.0 C C:TYR99 3.5 40.9 1.0 CG C:ASP95 3.5 45.3 1.0 OD1 C:ASP95 4.0 45.4 1.0 ND2 C:ASN97 4.1 31.9 1.0 CA C:ASP93 4.1 45.8 1.0 N C:TYR99 4.2 40.8 1.0 OD2 C:ASP93 4.2 46.2 1.0 CB C:ASP93 4.2 45.6 1.0 N C:ASN97 4.3 41.7 1.0 N C:ILE100 4.4 41.5 1.0 N C:ASP95 4.4 46.5 1.0 CA C:TYR99 4.4 40.7 1.0 CG C:GLU104 4.4 45.8 1.0 C C:ASP93 4.4 46.2 1.0 N C:GLY96 4.4 45.3 1.0 CA C:ILE100 4.5 41.3 1.0 CB C:ASN97 4.5 39.7 1.0 N C:SER101 4.6 43.5 1.0 N C:LYS94 4.7 46.4 1.0 CB C:ASP95 4.7 45.5 1.0 O C:HOH158 4.8 59.6 1.0 N C:GLY98 4.8 40.9 1.0 CA C:ASP95 4.8 45.8 1.0 CA C:ASN97 4.8 40.3 1.0 CB C:TYR99 4.9 40.6 1.0 C C:ASP95 4.9 46.1 1.0 O C:ASP93 4.9 46.1 1.0

M.X.Mori, C.W.Vander Kooi, D.J.Leahy, D.T.Yue. Crystal Structure of the P/Q-Type Calcium Channel (CAV2.1) Iq Domain and CA2+Calmodulin Complex To Be Published.