Calcium in PDB 1qs7: The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex

The structure of The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex, PDB code: 1qs7 was solved by S.Weigand, W.F.Anderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.87 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.016, 54.481, 66.304, 90.00, 92.76, 90.00
R / Rfree (%)	22.8 / 25.9

The binding sites of Calcium atom in the The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex (pdb code 1qs7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex, PDB code: 1qs7:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca151 b:19.8 occ:1.00 OD1 A:ASP20 2.3 15.2 1.0 O A:THR26 2.3 19.2 1.0 OD2 A:ASP24 2.3 20.2 1.0 OD1 A:ASP22 2.4 21.4 1.0 OE1 A:GLU31 2.4 18.5 1.0 OE2 A:GLU31 2.5 14.9 1.0 O A:HOH464 2.5 18.2 1.0 CD A:GLU31 2.8 15.1 1.0 CG A:ASP24 3.3 19.9 1.0 CG A:ASP22 3.3 22.4 1.0 CG A:ASP20 3.4 14.6 1.0 C A:THR26 3.5 18.4 1.0 OD2 A:ASP22 3.6 22.8 1.0 OD1 A:ASP24 3.8 20.4 1.0 OG1 A:THR26 4.0 21.3 1.0 CA A:ASP20 4.1 17.3 1.0 N A:THR26 4.1 18.7 1.0 CB A:ASP20 4.2 16.0 1.0 N A:ASP24 4.3 20.3 1.0 CG A:GLU31 4.3 17.8 1.0 OD2 A:ASP20 4.3 16.9 1.0 CA A:THR26 4.3 19.1 1.0 CB A:ASP24 4.4 19.8 1.0 N A:ASP22 4.4 20.2 1.0 C A:ASP20 4.4 17.7 1.0 N A:ILE27 4.5 18.5 1.0 CA A:ILE27 4.6 17.0 1.0 CB A:ASP22 4.6 20.6 1.0 N A:LYS21 4.7 19.7 1.0 O A:HOH465 4.7 16.0 0.5 CA A:ASP24 4.7 18.7 1.0 N A:GLY23 4.7 17.9 1.0 N A:GLY25 4.8 18.3 1.0 CB A:THR26 4.8 20.3 1.0 N A:THR28 4.9 17.0 1.0 CA A:ASP22 4.9 19.5 1.0 CG2 A:THR28 4.9 16.0 1.0 O A:HOH760 4.9 21.1 0.5 O A:ASP20 4.9 18.0 1.0 O A:HOH463 5.0 14.7 0.7 C A:ASP24 5.0 18.6 1.0

Calcium binding site 2 out of 8 in the The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca152 b:20.2 occ:1.00 O A:THR62 2.3 16.2 1.0 OD2 A:ASP58 2.3 23.7 1.0 OD2 A:ASP56 2.3 13.7 1.0 OD1 A:ASN60 2.4 21.1 1.0 OE1 A:GLU67 2.4 19.0 1.0 OE2 A:GLU67 2.5 17.1 1.0 O A:HOH521 2.5 30.5 1.0 CD A:GLU67 2.8 16.7 1.0 CG A:ASP58 3.3 22.8 1.0 CG A:ASN60 3.3 21.0 1.0 CG A:ASP56 3.5 16.3 1.0 C A:THR62 3.5 16.6 1.0 OD1 A:ASP58 3.6 24.2 1.0 ND2 A:ASN60 3.8 22.2 1.0 CA A:ASP56 4.1 17.9 1.0 N A:THR62 4.2 18.3 1.0 CB A:ASP56 4.3 18.0 1.0 CG A:GLU67 4.3 17.2 1.0 N A:ASN60 4.3 21.4 1.0 OD1 A:ASP56 4.3 18.5 1.0 N A:ILE63 4.4 16.5 1.0 N A:ASP64 4.4 15.4 1.0 CA A:ILE63 4.4 17.1 1.0 N A:ASP58 4.5 21.6 1.0 OG1 A:THR62 4.5 16.3 1.0 CA A:THR62 4.5 17.1 1.0 CB A:ASN60 4.5 21.4 1.0 C A:ASP56 4.6 18.6 1.0 CB A:ASP58 4.6 23.1 1.0 N A:ALA57 4.7 20.3 1.0 N A:GLY59 4.8 22.6 1.0 CA A:ASN60 4.8 19.9 1.0 OD2 A:ASP64 4.8 4.0 0.3 C A:ILE63 4.9 16.6 1.0 CA A:ASP58 4.9 22.5 1.0 N A:GLY61 4.9 18.8 1.0 CG A:ASP64 4.9 6.2 0.3 C A:ASP58 5.0 23.5 1.0

Calcium binding site 3 out of 8 in the The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca153 b:18.9 occ:1.00 O A:PHE99 2.2 17.4 1.0 OD2 A:ASP95 2.3 21.6 1.0 OD2 A:ASP93 2.3 13.6 1.0 OE2 A:GLU104 2.4 15.1 1.0 OD1 A:ASN97 2.4 18.4 1.0 OE1 A:GLU104 2.5 14.9 1.0 O A:HOH222 2.5 23.3 0.9 CD A:GLU104 2.8 12.7 1.0 CG A:ASP95 3.2 20.9 1.0 CG A:ASN97 3.3 17.0 1.0 C A:PHE99 3.5 16.6 1.0 CG A:ASP93 3.5 14.1 1.0 OD1 A:ASP95 3.6 23.8 1.0 ND2 A:ASN97 3.9 16.6 1.0 N A:ASN97 4.2 17.8 1.0 N A:PHE99 4.2 17.0 1.0 N A:ASP95 4.2 18.1 1.0 CG A:GLU104 4.3 13.6 1.0 OD1 A:ASP93 4.3 14.1 1.0 CA A:ASP93 4.3 15.4 1.0 CA A:PHE99 4.4 16.8 1.0 N A:ILE100 4.4 15.7 1.0 CB A:ASN97 4.4 17.0 1.0 CB A:ASP93 4.4 14.4 1.0 C A:ASP93 4.5 15.1 1.0 CB A:ASP95 4.5 19.8 1.0 CA A:ILE100 4.5 14.2 1.0 N A:GLY96 4.5 17.8 1.0 N A:LYS94 4.6 15.2 1.0 O A:HOH223 4.6 21.6 1.0 N A:SER101 4.7 15.4 1.0 CA A:ASP95 4.7 18.6 1.0 CA A:ASN97 4.7 17.9 1.0 CB A:PHE99 4.8 17.3 1.0 C A:ASP95 4.9 18.4 1.0 C A:ILE100 5.0 14.4 1.0 O A:ASP93 5.0 15.2 1.0 N A:GLY98 5.0 17.5 1.0

Calcium binding site 4 out of 8 in the The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca154 b:18.3 occ:1.00 OD1 A:ASP131 2.3 18.5 1.0 O A:GLN135 2.3 17.8 1.0 OD1 A:ASP129 2.3 16.8 1.0 OD1 A:ASP133 2.3 13.8 1.0 OE1 A:GLU140 2.4 19.2 1.0 OE2 A:GLU140 2.5 16.0 1.0 O A:HOH216 2.6 16.7 1.0 CD A:GLU140 2.8 18.9 1.0 CG A:ASP131 3.2 20.1 1.0 CG A:ASP133 3.2 14.2 1.0 CG A:ASP129 3.5 17.8 1.0 C A:GLN135 3.5 16.0 1.0 OD2 A:ASP131 3.5 19.8 1.0 OD2 A:ASP133 3.6 16.8 1.0 CA A:ASP129 4.1 18.4 1.0 CB A:ASP129 4.2 17.8 1.0 N A:ASP131 4.2 19.1 1.0 N A:ASP133 4.2 18.6 1.0 N A:GLN135 4.2 17.6 1.0 CG A:GLU140 4.3 18.3 1.0 CA A:VAL136 4.3 15.7 1.0 N A:VAL136 4.3 17.0 1.0 OD2 A:ASP129 4.4 18.9 1.0 N A:VAL130 4.4 19.3 1.0 N A:ASN137 4.4 16.2 1.0 CA A:GLN135 4.5 16.1 1.0 CB A:ASP133 4.5 17.4 1.0 CB A:ASP131 4.5 19.0 1.0 N A:GLY132 4.5 18.8 1.0 C A:ASP129 4.6 18.9 1.0 CA A:ASP131 4.7 18.9 1.0 CA A:ASP133 4.8 18.6 1.0 C A:VAL136 4.8 16.0 1.0 N A:GLY134 4.9 18.7 1.0 CG A:GLN135 4.9 12.9 0.2 C A:ASP131 4.9 18.9 1.0 CG A:ASN137 5.0 17.9 1.0

Calcium binding site 5 out of 8 in the The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca151 b:23.5 occ:1.00 OD1 C:ASP20 2.3 18.0 1.0 OD2 C:ASP24 2.3 19.4 1.0 OD1 C:ASP22 2.3 24.4 1.0 O C:THR26 2.4 23.4 1.0 OE2 C:GLU31 2.4 21.6 1.0 OE1 C:GLU31 2.4 21.4 1.0 O C:HOH319 2.5 18.9 0.7 CD C:GLU31 2.7 21.6 1.0 CG C:ASP22 3.2 23.1 1.0 CG C:ASP24 3.3 20.5 1.0 CG C:ASP20 3.4 17.2 1.0 OD2 C:ASP22 3.5 22.3 1.0 C C:THR26 3.6 22.8 1.0 OD1 C:ASP24 3.9 21.2 1.0 CA C:ASP20 4.0 20.0 1.0 CB C:ASP20 4.2 18.3 1.0 N C:ASP24 4.2 23.4 1.0 CG C:GLU31 4.2 19.8 1.0 N C:THR26 4.2 24.0 1.0 OD2 C:ASP20 4.3 21.5 1.0 CB C:ASP24 4.3 20.6 1.0 O C:HOH814 4.4 27.2 0.6 CA C:THR26 4.5 23.9 1.0 C C:ASP20 4.5 21.1 1.0 CG2 C:THR26 4.5 25.3 1.0 N C:ILE27 4.5 21.2 1.0 N C:ASP22 4.6 25.2 1.0 O C:HOH318 4.6 19.4 0.6 CB C:ASP22 4.6 25.1 1.0 CA C:ILE27 4.6 19.7 1.0 CA C:ASP24 4.7 22.8 1.0 N C:GLY23 4.8 26.0 1.0 CG2 C:THR28 4.8 21.4 1.0 O C:HOH454 4.8 21.3 1.0 N C:LYS21 4.9 22.1 1.0 N C:GLY25 4.9 23.2 1.0 N C:THR28 4.9 19.3 1.0 CA C:ASP22 4.9 25.1 1.0 O C:ASP20 4.9 21.2 1.0

Calcium binding site 6 out of 8 in the The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca152 b:21.1 occ:1.00 O C:THR62 2.3 21.4 1.0 OD2 C:ASP58 2.3 27.5 1.0 OD1 C:ASN60 2.3 24.4 1.0 OD2 C:ASP56 2.3 21.8 1.0 O C:HOH419 2.4 23.4 0.6 OE2 C:GLU67 2.4 22.3 1.0 OE1 C:GLU67 2.4 19.9 1.0 OD1 C:ASP64 2.4 20.3 0.3 CD C:GLU67 2.7 21.9 1.0 CG C:ASN60 3.2 24.5 1.0 CG C:ASP58 3.3 28.4 1.0 CG C:ASP56 3.5 20.9 1.0 C C:THR62 3.5 20.0 1.0 OD1 C:ASP58 3.6 30.5 1.0 ND2 C:ASN60 3.6 24.5 1.0 CG C:ASP64 3.6 18.6 0.3 N C:ASP64 4.2 19.7 1.0 CA C:ASP56 4.2 22.9 1.0 CG C:GLU67 4.2 19.9 1.0 OD2 C:ASP64 4.3 17.3 0.3 N C:THR62 4.3 23.3 1.0 CB C:ASP56 4.3 21.3 1.0 OD1 C:ASP56 4.3 23.3 1.0 N C:ASP58 4.3 27.5 1.0 CA C:ILE63 4.4 19.9 1.0 N C:ILE63 4.4 19.4 1.0 N C:ASN60 4.4 25.7 1.0 OG1 C:THR62 4.5 20.8 1.0 N C:ALA57 4.5 24.4 1.0 CA C:THR62 4.5 21.4 1.0 CB C:ASN60 4.5 24.9 1.0 CG C:ASP64 4.5 14.7 0.4 CB C:ASP58 4.6 27.1 1.0 OD2 C:ASP64 4.6 13.7 0.4 OD1 C:ASP64 4.7 12.7 0.4 C C:ILE63 4.7 20.2 1.0 C C:ASP56 4.7 23.4 1.0 CB C:ASP64 4.7 18.9 0.3 CA C:ASP58 4.8 26.5 1.0 N C:GLY59 4.8 27.7 1.0 CA C:ASN60 4.9 24.1 1.0 CB C:ASP64 4.9 16.8 0.4 N C:GLY61 4.9 22.0 1.0

Calcium binding site 7 out of 8 in the The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca153 b:21.5 occ:1.00 O C:PHE99 2.3 22.2 1.0 OD1 C:ASP95 2.3 25.2 1.0 OD2 C:ASP93 2.3 20.8 1.0 OD1 C:ASN97 2.3 24.4 1.0 O C:HOH368 2.4 24.6 0.9 OE2 C:GLU104 2.4 20.2 1.0 OE1 C:GLU104 2.5 19.9 1.0 CD C:GLU104 2.8 19.9 1.0 CG C:ASP95 3.2 25.9 1.0 CG C:ASN97 3.3 22.9 1.0 C C:PHE99 3.5 20.8 1.0 OD2 C:ASP95 3.5 24.9 1.0 CG C:ASP93 3.5 19.6 1.0 ND2 C:ASN97 3.9 24.1 1.0 N C:ASN97 4.1 24.6 1.0 N C:PHE99 4.2 23.0 1.0 CG C:GLU104 4.3 18.9 1.0 N C:ASP95 4.3 23.5 1.0 CA C:ASP93 4.3 19.5 1.0 OD1 C:ASP93 4.3 19.5 1.0 CA C:PHE99 4.3 22.2 1.0 CB C:ASN97 4.3 24.5 1.0 N C:ILE100 4.4 19.6 1.0 CB C:ASP95 4.5 25.1 1.0 CB C:ASP93 4.5 19.1 1.0 C C:ASP93 4.5 20.1 1.0 CA C:ILE100 4.5 18.2 1.0 N C:GLY96 4.5 25.2 1.0 N C:SER101 4.6 19.6 1.0 N C:LYS94 4.6 21.2 1.0 CA C:ASN97 4.7 24.2 1.0 CA C:ASP95 4.7 24.9 1.0 CB C:PHE99 4.8 22.6 1.0 C C:ASP95 4.9 25.2 1.0 N C:GLY98 4.9 25.1 1.0 C C:ASN97 5.0 24.9 1.0 OE1 C:GLN135 5.0 14.7 0.3

Calcium binding site 8 out of 8 in the The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of The 1.8 Angstrom Structure of Calmodulin RS20 Peptide Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca154 b:23.4 occ:1.00 OD1 C:ASP131 2.3 31.3 1.0 O C:GLN135 2.3 19.6 1.0 OD1 C:ASP129 2.3 27.8 1.0 OD2 C:ASP133 2.4 25.8 1.0 OE1 C:GLU140 2.4 22.3 1.0 OE2 C:GLU140 2.5 21.7 1.0 O C:HOH372 2.5 22.8 1.0 CD C:GLU140 2.8 21.7 1.0 CG C:ASP131 3.2 31.6 1.0 CG C:ASP133 3.3 27.0 1.0 OD2 C:ASP131 3.4 32.9 1.0 C C:GLN135 3.5 21.2 1.0 CG C:ASP129 3.5 29.2 1.0 OD1 C:ASP133 3.8 27.6 1.0 N C:ASP133 4.1 30.2 1.0 N C:GLN135 4.2 22.7 1.0 OD2 C:ASP129 4.2 29.6 1.0 CG C:GLU140 4.3 20.4 1.0 N C:VAL136 4.3 21.1 1.0 N C:ASP131 4.3 29.2 1.0 CA C:VAL136 4.4 20.5 1.0 N C:ASN137 4.4 19.9 1.0 CA C:ASP129 4.4 30.3 1.0 ND2 C:ASN137 4.4 23.8 1.0 CA C:GLN135 4.4 20.7 1.0 CB C:ASP129 4.5 29.5 1.0 N C:GLY132 4.5 32.5 1.0 CB C:ASP133 4.5 28.6 1.0 CB C:ASP131 4.5 30.7 1.0 N C:VAL130 4.5 30.8 1.0 CA C:ASP133 4.7 28.6 1.0 N C:GLY134 4.7 26.8 1.0 CA C:ASP131 4.8 30.6 1.0 CG C:ASN137 4.8 23.1 1.0 C C:VAL136 4.8 20.1 1.0 C C:ASP129 4.9 30.9 1.0 C C:ASP131 4.9 31.5 1.0 C C:ASP133 5.0 27.9 1.0 CB C:GLN135 5.0 18.5 0.3

S.Weigand, L.Shuvalova, T.J.Lukas, S.Mirzoeva, D.M.Watterson, W.F.Anderson. High Resolution Structure of A Calmodulin RS20 Peptide Complex To Be Published.