Calcium in PDB 2x0g: X-Ray Structure of A Dap-Kinase Calmodulin Complex

All present enzymatic activity of X-Ray Structure of A Dap-Kinase Calmodulin Complex:
2.7.11.1;

The structure of X-Ray Structure of A Dap-Kinase Calmodulin Complex, PDB code: 2x0g was solved by J.Kuper, I.De Diego, F.Lehmann, M.Wilmanns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.41 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.413, 101.694, 104.775, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 26.7

The binding sites of Calcium atom in the X-Ray Structure of A Dap-Kinase Calmodulin Complex (pdb code 2x0g). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the X-Ray Structure of A Dap-Kinase Calmodulin Complex, PDB code: 2x0g:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the X-Ray Structure of A Dap-Kinase Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of A Dap-Kinase Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1146 b:20.7 occ:1.00 O B:TYR99 2.3 24.0 1.0 OD1 B:ASP95 2.3 22.1 1.0 OE1 B:GLU104 2.4 13.1 1.0 OD2 B:ASP93 2.5 15.4 1.0 OE2 B:GLU104 2.6 22.0 1.0 OD1 B:ASN97 2.6 16.6 1.0 CD B:GLU104 2.8 22.4 1.0 CG B:ASN97 3.3 14.9 1.0 CG B:ASP95 3.4 21.4 1.0 C B:TYR99 3.5 24.9 1.0 ND2 B:ASN97 3.6 21.5 1.0 CG B:ASP93 3.7 22.0 1.0 OD2 B:ASP95 4.0 33.5 1.0 CG B:GLU104 4.2 13.6 1.0 N B:TYR99 4.3 26.3 1.0 CB B:ASN97 4.4 18.1 1.0 CA B:TYR99 4.4 24.5 1.0 OD1 B:ASP93 4.4 31.3 1.0 N B:ILE100 4.4 22.3 1.0 N B:ASN97 4.4 19.7 1.0 CA B:ILE100 4.5 18.9 1.0 N B:SER101 4.6 21.0 1.0 N B:ASP95 4.6 22.1 1.0 CA B:ASP93 4.6 20.6 1.0 CB B:ASP95 4.6 21.8 1.0 CB B:ASP93 4.6 19.0 1.0 CB B:TYR99 4.6 24.3 1.0 CA B:ASN97 4.9 18.3 1.0 C B:ASP93 4.9 20.5 1.0 CA B:ASP95 4.9 22.0 1.0 C B:ILE100 4.9 20.0 1.0 N B:GLY96 5.0 21.7 1.0 N B:LYS94 5.0 21.9 1.0

Calcium binding site 2 out of 4 in the X-Ray Structure of A Dap-Kinase Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of A Dap-Kinase Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1147 b:19.8 occ:1.00 O B:HOH2021 2.1 32.5 1.0 OD1 B:ASP129 2.2 15.1 1.0 O B:GLN135 2.3 18.1 1.0 OD1 B:ASP131 2.3 15.6 1.0 OE1 B:GLU140 2.4 20.9 1.0 OD1 B:ASP133 2.4 21.4 1.0 OE2 B:GLU140 2.6 15.0 1.0 CD B:GLU140 2.8 19.6 1.0 CG B:ASP133 3.3 29.4 1.0 CG B:ASP131 3.4 18.6 1.0 CG B:ASP129 3.4 27.3 1.0 C B:GLN135 3.5 23.0 1.0 OD2 B:ASP133 3.6 33.3 1.0 OD2 B:ASP131 3.7 17.6 1.0 CA B:ASP129 4.2 22.0 1.0 CB B:ASP129 4.2 24.2 1.0 N B:ASP131 4.2 22.3 1.0 OD2 B:ASP129 4.3 15.0 1.0 N B:GLN135 4.3 21.4 1.0 N B:VAL136 4.3 19.7 1.0 CG B:GLU140 4.3 15.1 1.0 N B:ASP133 4.4 24.0 1.0 CA B:VAL136 4.4 20.6 1.0 CA B:GLN135 4.4 23.4 1.0 N B:ILE130 4.4 21.5 1.0 N B:GLY132 4.5 22.9 1.0 C B:ASP129 4.6 23.6 1.0 CB B:ASP133 4.6 24.9 1.0 N B:ASN137 4.6 14.2 1.0 CB B:ASP131 4.6 17.8 1.0 CA B:ASP131 4.8 20.0 1.0 CB B:GLN135 4.8 27.6 1.0 ND2 B:ASN137 4.9 23.9 1.0 CA B:ASP133 4.9 24.9 1.0 N B:GLY134 5.0 18.6 1.0 C B:ASP131 5.0 22.8 1.0 C B:VAL136 5.0 19.2 1.0

Calcium binding site 3 out of 4 in the X-Ray Structure of A Dap-Kinase Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of X-Ray Structure of A Dap-Kinase Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1148 b:15.0 occ:1.00 O B:HOH2003 2.1 10.4 1.0 O B:THR26 2.3 17.9 1.0 OD2 B:ASP22 2.3 34.0 1.0 OE1 B:GLU31 2.5 16.2 1.0 OD2 B:ASP20 2.5 9.9 1.0 OD1 B:ASP24 2.6 28.4 1.0 OE2 B:GLU31 2.9 23.7 1.0 CD B:GLU31 3.0 23.8 1.0 CG B:ASP22 3.3 27.3 1.0 CG B:ASP24 3.5 25.6 1.0 C B:THR26 3.5 17.9 1.0 CG B:ASP20 3.5 13.4 1.0 OD1 B:ASP22 3.6 27.5 1.0 OD2 B:ASP24 3.8 27.7 1.0 N B:THR26 4.0 16.7 1.0 OD1 B:ASP20 4.2 9.8 1.0 N B:ASP24 4.2 21.9 1.0 CA B:ASP20 4.2 17.9 1.0 CA B:THR26 4.3 18.5 1.0 OG1 B:THR26 4.3 26.1 1.0 N B:GLY23 4.4 22.7 1.0 N B:ASP22 4.4 23.9 1.0 CB B:ASP20 4.4 18.1 1.0 C B:ASP20 4.4 20.7 1.0 N B:ILE27 4.5 12.9 1.0 CG B:GLU31 4.5 24.2 1.0 CA B:ILE27 4.6 13.1 1.0 CB B:ASP22 4.6 24.2 1.0 N B:GLY25 4.6 19.6 1.0 CB B:ASP24 4.7 23.3 1.0 N B:LYS21 4.8 22.6 1.0 N B:THR28 4.8 12.8 1.0 O B:ASP20 4.8 16.3 1.0 CA B:ASP22 4.8 23.0 1.0 CA B:ASP24 4.8 23.5 1.0 C B:ASP22 4.9 22.0 1.0 CB B:THR26 5.0 19.4 1.0

Calcium binding site 4 out of 4 in the X-Ray Structure of A Dap-Kinase Calmodulin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of X-Ray Structure of A Dap-Kinase Calmodulin Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1149 b:18.8 occ:1.00 O B:THR62 2.1 2.7 1.0 OD1 B:ASN60 2.5 7.0 1.0 OD1 B:ASP56 2.6 22.6 1.0 OE2 B:GLU67 2.6 18.8 1.0 OD1 B:ASP58 2.7 29.6 1.0 OE1 B:GLU67 3.0 11.6 1.0 CD B:GLU67 3.2 22.4 1.0 CG B:ASN60 3.2 19.8 1.0 C B:THR62 3.3 11.0 1.0 OD2 B:ASP58 3.3 30.1 1.0 CG B:ASP58 3.4 27.9 1.0 ND2 B:ASN60 3.5 17.3 1.0 CG B:ASP56 3.8 28.1 1.0 OD2 B:ASP64 3.9 31.6 1.0 N B:THR62 4.1 13.4 1.0 N B:ILE63 4.1 14.9 1.0 OG1 B:THR62 4.2 12.8 1.0 CA B:THR62 4.2 12.9 1.0 N B:ASP64 4.2 17.6 1.0 CA B:ILE63 4.2 15.7 1.0 N B:ASN60 4.4 19.5 1.0 CB B:ASN60 4.4 18.4 1.0 C B:ILE63 4.6 15.0 1.0 CA B:ASP56 4.6 27.6 1.0 CG B:GLU67 4.6 23.5 1.0 CG B:ASP64 4.6 23.4 1.0 OD2 B:ASP56 4.7 18.2 1.0 CB B:ASP56 4.7 27.2 1.0 CA B:ASN60 4.8 18.1 1.0 CB B:ASP58 4.8 27.5 1.0 CB B:THR62 4.8 12.3 1.0 C B:ASN60 4.9 16.9 1.0 N B:GLY61 4.9 16.6 1.0 N B:GLY59 4.9 23.6 1.0 N B:ASP58 5.0 28.4 1.0

I.De Diego, J.Kuper, N.Bakalova, P.Kursula, M.Wilmanns. Molecular Basis of the Death-Associated Protein Kinase-Calcium/Calmodulin Regulator Complex. Sci.Signal V. 3 RA6 2010.
ISSN: ESSN 1937-9145
PubMed: 20103772
DOI: 10.1126/SCISIGNAL.2000552