Calcium in PDB 1wrz: Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase

All present enzymatic activity of Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase:
2.7.1.37;

The structure of Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase, PDB code: 1wrz was solved by P.Kursula, J.Vahokoski, M.Wilmanns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	66.070, 33.760, 73.870, 90.00, 110.04, 90.00
R / Rfree (%)	22.4 / 27.9

The binding sites of Calcium atom in the Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase (pdb code 1wrz). 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 Complexed with A Peptide From A Human Death-Associated Protein Kinase, PDB code: 1wrz:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca151 b:37.6 occ:1.00 O A:THR26 2.3 37.2 1.0 OD2 A:ASP20 2.3 38.1 1.0 O A:HOH5011 2.3 37.6 1.0 OD2 A:ASP22 2.4 43.2 1.0 OD1 A:ASP24 2.4 40.2 1.0 OE2 A:GLU31 2.4 37.5 1.0 OE1 A:GLU31 2.5 36.9 1.0 CD A:GLU31 2.8 36.9 1.0 CG A:ASP22 3.3 41.9 1.0 CG A:ASP24 3.4 41.1 1.0 CG A:ASP20 3.5 38.0 1.0 C A:THR26 3.5 37.7 1.0 OD1 A:ASP22 3.7 43.9 1.0 OD2 A:ASP24 3.8 40.9 1.0 OG1 A:THR26 4.1 40.3 1.0 CA A:ASP20 4.1 37.0 1.0 N A:THR26 4.2 39.1 1.0 CB A:ASP20 4.3 37.1 1.0 CG A:GLU31 4.3 37.3 1.0 OD1 A:ASP20 4.3 37.8 1.0 N A:ASP24 4.3 40.4 1.0 CA A:THR26 4.4 38.3 1.0 N A:ILE27 4.4 36.9 1.0 O A:HOH5059 4.4 35.0 1.0 CB A:ASP24 4.5 40.2 1.0 N A:ASP22 4.5 41.0 1.0 C A:ASP20 4.5 38.0 1.0 CA A:ILE27 4.5 36.9 1.0 CB A:ASP22 4.6 41.8 1.0 N A:LYS21 4.6 39.5 1.0 N A:GLY23 4.7 40.2 1.0 O A:HOH5035 4.7 33.3 1.0 CG2 A:THR28 4.8 36.0 1.0 CA A:ASP24 4.8 40.5 1.0 O A:HOH5037 4.8 22.8 1.0 CA A:ASP22 4.9 41.1 1.0 N A:GLY25 4.9 40.2 1.0 N A:THR28 4.9 36.6 1.0 CB A:THR26 4.9 38.9 1.0 C A:ASP22 5.0 41.0 1.0

Calcium binding site 2 out of 4 in the Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca152 b:34.9 occ:1.00 OD1 A:ASP56 2.2 32.1 1.0 OE2 A:GLU67 2.3 36.3 1.0 O A:HOH5012 2.3 37.1 1.0 OD1 A:ASN60 2.3 40.6 1.0 O A:THR62 2.4 36.7 1.0 OD1 A:ASP58 2.4 43.4 1.0 OE1 A:GLU67 2.6 33.6 1.0 CD A:GLU67 2.8 34.1 1.0 CG A:ASP56 3.4 37.4 1.0 CG A:ASN60 3.4 41.9 1.0 CG A:ASP58 3.4 44.4 1.0 C A:THR62 3.5 36.6 1.0 OD2 A:ASP58 3.7 43.0 1.0 ND2 A:ASN60 4.0 42.5 1.0 OD2 A:ASP56 4.2 33.1 1.0 CA A:ASP56 4.2 38.4 1.0 N A:ASN60 4.2 41.3 1.0 N A:THR62 4.2 37.0 1.0 CB A:ASP56 4.3 38.1 1.0 CG A:GLU67 4.3 33.7 1.0 N A:ILE63 4.4 36.9 1.0 O A:HOH5038 4.4 47.2 1.0 N A:ASP64 4.4 36.7 1.0 CA A:ILE63 4.5 37.3 1.0 CA A:THR62 4.5 36.4 1.0 O A:HOH5071 4.5 32.7 1.0 CB A:ASN60 4.6 40.8 1.0 C A:ASP56 4.6 39.6 1.0 N A:GLY59 4.6 43.5 1.0 N A:ASP58 4.6 43.6 1.0 OG1 A:THR62 4.6 37.0 1.0 CB A:ASP58 4.7 44.2 1.0 N A:GLY61 4.7 39.5 1.0 CA A:ASN60 4.7 40.9 1.0 N A:ALA57 4.8 40.4 1.0 C A:ILE63 4.9 37.0 1.0 CG A:ASP64 4.9 37.8 1.0 OD1 A:ASP64 4.9 41.5 1.0 C A:ASP58 5.0 43.8 1.0 CA A:ASP58 5.0 43.9 1.0 C A:ASN60 5.0 40.2 1.0

Calcium binding site 3 out of 4 in the Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca153 b:40.5 occ:1.00 OE2 A:GLU104 2.3 35.3 1.0 O A:TYR99 2.3 35.0 1.0 OD2 A:ASP93 2.3 39.6 1.0 O A:HOH5013 2.3 39.0 1.0 OD1 A:ASN97 2.4 32.8 1.0 OD1 A:ASP95 2.5 36.7 1.0 OE1 A:GLU104 2.7 36.1 1.0 CD A:GLU104 2.8 34.0 1.0 C A:TYR99 3.5 34.3 1.0 CG A:ASP95 3.5 37.5 1.0 CG A:ASP93 3.5 38.7 1.0 CG A:ASN97 3.5 34.7 1.0 OD2 A:ASP95 3.8 37.5 1.0 CA A:ASP93 4.0 38.3 1.0 N A:ASN97 4.1 35.3 1.0 N A:TYR99 4.2 33.8 1.0 CB A:ASP93 4.2 38.2 1.0 C A:ASP93 4.3 38.0 1.0 N A:ILE100 4.3 34.2 1.0 CG A:GLU104 4.3 34.2 1.0 N A:LYS94 4.3 38.0 1.0 CA A:TYR99 4.4 33.7 1.0 N A:GLY96 4.4 36.6 1.0 N A:ASP95 4.4 37.5 1.0 ND2 A:ASN97 4.4 33.7 1.0 CA A:ILE100 4.4 34.1 1.0 OD1 A:ASP93 4.5 38.3 1.0 CB A:ASN97 4.5 34.8 1.0 N A:SER101 4.6 34.0 1.0 CB A:ASP95 4.7 37.3 1.0 CA A:ASN97 4.7 35.1 1.0 CB A:TYR99 4.9 33.5 1.0 O A:ASP93 4.9 38.0 1.0 CA A:ASP95 4.9 37.2 1.0 N A:GLY98 4.9 34.8 1.0

Calcium binding site 4 out of 4 in the Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Calmodulin Complexed with A Peptide From A Human Death-Associated Protein Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca154 b:23.2 occ:1.00 OD2 A:ASP131 2.1 40.6 1.0 OD2 A:ASP133 2.2 39.6 1.0 OD1 A:ASP129 2.4 36.7 1.0 O A:HOH5014 2.4 23.9 1.0 O A:GLN135 2.4 39.0 1.0 OE2 A:GLU140 2.9 39.7 1.0 OE1 A:GLU140 3.0 38.6 1.0 CG A:ASP131 3.1 37.3 1.0 CG A:ASP133 3.3 36.7 1.0 CD A:GLU140 3.3 39.9 1.0 C A:GLN135 3.4 38.8 1.0 OD1 A:ASP131 3.6 36.9 1.0 CG A:ASP129 3.6 38.0 1.0 N A:GLN135 3.9 38.6 1.0 OD1 A:ASP133 3.9 38.9 1.0 N A:ASP133 4.0 36.6 1.0 CA A:GLN135 4.2 39.1 1.0 N A:ASP131 4.2 37.8 1.0 N A:GLY132 4.2 36.8 1.0 CB A:ASP133 4.3 37.0 1.0 N A:VAL136 4.3 38.7 1.0 CB A:ASP131 4.3 37.7 1.0 CA A:ASP129 4.4 38.0 1.0 CB A:ASP129 4.4 38.0 1.0 OD2 A:ASP129 4.4 37.7 1.0 N A:GLY134 4.5 37.3 1.0 CA A:ASP133 4.5 36.9 1.0 C A:ASP131 4.5 37.3 1.0 CA A:ASP131 4.5 37.6 1.0 CA A:VAL136 4.5 38.8 1.0 N A:ILE130 4.7 37.8 1.0 C A:ASP133 4.7 37.0 1.0 CB A:GLN135 4.7 38.9 1.0 N A:ASN137 4.7 39.5 1.0 C A:ASP129 4.8 38.0 1.0 CG A:GLU140 4.8 39.9 1.0 C A:GLY132 4.9 36.7 1.0

P.Kursula, J.Vahokoski, M.Wilmanns. The Mode of Binding of Calmodulin to Death-Associated Protein Kinases To Be Published.