Calcium in PDB 2w73: High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A

All present enzymatic activity of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A:
3.1.3.16;

The structure of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A, PDB code: 2w73 was solved by V.Majava, P.Kursula, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.310, 81.320, 71.190, 90.00, 111.28, 90.00
R / Rfree (%)	18.6 / 21.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Calcium atom in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A (pdb code 2w73). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 20 binding sites of Calcium where determined in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A, PDB code: 2w73:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 20 in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1148 b:4.7 occ:1.00 O A:THR26 2.3 6.6 1.0 OD2 A:ASP20 2.3 6.3 1.0 OD2 A:ASP22 2.3 7.3 1.0 OD1 A:ASP24 2.4 9.0 1.0 O A:HOH2015 2.4 11.1 1.0 OE2 A:GLU31 2.4 6.9 1.0 OE1 A:GLU31 2.4 5.5 1.0 CD A:GLU31 2.8 5.4 1.0 CG A:ASP24 3.3 10.2 1.0 CG A:ASP22 3.3 7.7 1.0 CG A:ASP20 3.5 5.1 1.0 C A:THR26 3.5 4.9 1.0 OD1 A:ASP22 3.7 13.3 1.0 OD2 A:ASP24 3.8 14.9 1.0 OG1 A:THR26 4.1 22.3 1.0 CA A:ASP20 4.2 5.9 1.0 N A:THR26 4.2 5.1 1.0 N A:ASP24 4.3 7.2 1.0 CB A:ASP20 4.3 5.6 1.0 OD1 A:ASP20 4.3 7.6 1.0 CG A:GLU31 4.3 4.5 1.0 CB A:ASP24 4.4 6.6 1.0 CA A:THR26 4.4 7.9 1.0 N A:ILE27 4.4 3.1 1.0 N A:ASP22 4.5 9.3 1.0 C A:ASP20 4.5 6.6 1.0 O A:HOH2017 4.5 23.7 1.0 CA A:ILE27 4.5 3.1 1.0 CB A:ASP22 4.6 8.5 1.0 O A:HOH2021 4.7 13.1 1.0 N A:GLY23 4.7 7.5 1.0 CA A:ASP24 4.7 6.2 1.0 N A:LYS21 4.7 7.9 0.5 N A:LYS21 4.7 7.2 0.5 N A:GLY25 4.8 6.2 1.0 CA A:ASP22 4.8 9.0 1.0 O A:HOH2024 4.9 15.3 1.0 N A:THR28 4.9 3.1 1.0 CB A:THR26 4.9 12.4 1.0 CG2 A:THR28 5.0 5.5 1.0 C A:ASP24 5.0 6.3 1.0 C A:ASP22 5.0 8.9 1.0

Calcium binding site 2 out of 20 in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1149 b:4.0 occ:1.00 OD2 A:ASP56 2.3 6.0 1.0 O A:HOH2049 2.3 9.4 1.0 O A:THR62 2.3 4.0 1.0 OD1 A:ASN60 2.4 4.9 1.0 OD1 A:ASP58 2.4 6.0 1.0 OE2 A:GLU67 2.4 6.6 1.0 OE1 A:GLU67 2.6 4.7 1.0 CD A:GLU67 2.9 3.0 1.0 CG A:ASP58 3.3 5.8 1.0 CG A:ASN60 3.3 4.1 1.0 CG A:ASP56 3.5 4.7 1.0 C A:THR62 3.5 3.4 1.0 OD2 A:ASP58 3.7 11.0 1.0 ND2 A:ASN60 4.0 7.5 1.0 N A:THR62 4.2 4.6 1.0 O A:HOH2053 4.2 15.9 1.0 N A:ASN60 4.2 4.3 1.0 OD1 A:ASP56 4.3 6.6 1.0 CA A:ASP56 4.3 3.7 1.0 CG A:GLU67 4.4 3.6 1.0 N A:ILE63 4.4 2.6 1.0 N A:ASP58 4.4 5.6 1.0 CB A:ASP56 4.4 4.5 1.0 CB A:ASN60 4.4 4.1 1.0 CA A:ILE63 4.4 3.1 1.0 CA A:THR62 4.5 4.3 1.0 N A:ASP64 4.5 2.7 1.0 CB A:ASP58 4.6 6.9 1.0 N A:GLY61 4.6 4.3 1.0 O A:HOH2054 4.6 17.9 1.0 C A:ASP56 4.6 3.5 1.0 OG1 A:THR62 4.7 8.2 1.0 N A:GLY59 4.7 4.1 1.0 CA A:ASN60 4.7 3.6 1.0 N A:ALA57 4.7 4.9 1.0 CA A:ASP58 4.8 4.0 1.0 C A:ILE63 4.9 3.8 1.0 OD2 A:ASP64 4.9 20.9 1.0 CG A:ASP64 4.9 13.4 1.0 C A:ASN60 4.9 4.5 1.0 C A:ASP58 5.0 6.0 1.0

Calcium binding site 3 out of 20 in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1150 b:9.1 occ:1.00 O A:TYR99 2.3 13.4 1.0 OD2 A:ASP93 2.3 13.3 1.0 OD1 A:ASP95 2.3 12.4 1.0 OD1 A:ASN97 2.4 10.5 1.0 OE2 A:GLU104 2.4 10.6 1.0 O A:HOH2066 2.4 16.9 1.0 OE1 A:GLU104 2.6 11.2 1.0 CD A:GLU104 2.9 7.5 1.0 CG A:ASP95 3.2 7.7 1.0 CG A:ASN97 3.3 7.1 1.0 C A:TYR99 3.5 12.8 1.0 CG A:ASP93 3.5 13.8 1.0 OD2 A:ASP95 3.6 14.9 1.0 ND2 A:ASN97 3.9 9.3 1.0 N A:TYR99 4.1 8.7 1.0 CA A:ASP93 4.2 7.8 1.0 N A:ASN97 4.3 10.9 1.0 CA A:TYR99 4.3 8.2 1.0 CB A:ASN97 4.3 7.1 1.0 N A:ASP95 4.3 10.3 1.0 CB A:ASP93 4.3 10.4 1.0 OD1 A:ASP93 4.4 12.8 1.0 CG A:GLU104 4.4 10.2 1.0 N A:ILE100 4.4 9.4 1.0 C A:ASP93 4.4 11.3 1.0 CB A:ASP95 4.5 12.4 1.0 CA A:ILE100 4.6 9.1 1.0 N A:GLY96 4.6 11.3 1.0 N A:LYS94 4.7 11.9 1.0 CA A:ASN97 4.7 9.7 1.0 N A:SER101 4.7 10.4 1.0 CB A:TYR99 4.7 11.5 1.0 CA A:ASP95 4.8 11.7 1.0 N A:GLY98 4.8 9.8 1.0 O A:HOH2071 4.8 20.6 1.0 O A:ASP93 4.9 13.4 1.0 C A:ASP95 4.9 7.8 1.0

Calcium binding site 4 out of 20 in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1151 b:11.2 occ:1.00 O A:HOH2079 1.9 12.6 1.0 O A:GLN135 2.3 13.1 1.0 OD1 A:ASP131 2.3 17.7 1.0 OD2 A:ASP129 2.3 14.1 1.0 OD1 A:ASP133 2.3 15.6 1.0 OE1 A:GLU140 2.4 11.2 1.0 OE2 A:GLU140 2.6 16.6 1.0 CD A:GLU140 2.9 14.1 1.0 CG A:ASP131 3.2 22.2 1.0 CG A:ASP133 3.2 10.8 1.0 CG A:ASP129 3.4 10.0 1.0 C A:GLN135 3.4 11.6 1.0 OD2 A:ASP131 3.5 17.8 1.0 OD2 A:ASP133 3.7 15.0 1.0 N A:GLN135 4.2 6.7 1.0 N A:ASP133 4.2 11.2 1.0 OD1 A:ASP129 4.2 14.0 1.0 CA A:ASP129 4.3 15.7 1.0 CB A:ASP129 4.3 15.9 1.0 N A:VAL136 4.3 11.9 1.0 CA A:VAL136 4.3 11.2 1.0 CB A:ASP133 4.4 10.7 1.0 CG A:GLU140 4.4 13.8 1.0 CA A:GLN135 4.4 8.3 1.0 N A:ASP131 4.5 15.6 1.0 N A:ASN137 4.5 9.6 0.5 N A:ASN137 4.5 9.8 0.5 CB A:ASP131 4.5 22.9 1.0 C A:ASP129 4.6 14.8 1.0 CA A:ASP133 4.7 11.2 1.0 OD1 A:ASN137 4.7 25.8 0.5 N A:GLY132 4.7 9.0 1.0 N A:GLY134 4.7 11.4 1.0 N A:ILE130 4.8 17.6 0.5 N A:ILE130 4.8 17.3 0.5 CA A:ASP131 4.8 15.4 1.0 ND2 A:ASN137 4.9 8.8 0.5 CB A:GLN135 4.9 11.6 1.0 C A:ASP133 4.9 10.6 1.0 C A:ASP131 4.9 17.2 1.0 C A:VAL136 4.9 10.3 1.0 CG A:ASN137 5.0 15.9 0.5

Calcium binding site 5 out of 20 in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1148 b:4.6 occ:1.00 O B:THR26 2.3 9.1 1.0 OD2 B:ASP20 2.3 5.5 1.0 OD1 B:ASP22 2.4 8.4 1.0 OD1 B:ASP24 2.4 7.4 1.0 O B:HOH2016 2.4 7.8 1.0 OE2 B:GLU31 2.4 5.4 1.0 OE1 B:GLU31 2.4 5.1 1.0 CD B:GLU31 2.8 3.8 1.0 CG B:ASP22 3.3 7.2 1.0 CG B:ASP24 3.3 15.0 1.0 C B:THR26 3.5 4.5 1.0 CG B:ASP20 3.5 4.1 1.0 OD2 B:ASP22 3.8 13.0 1.0 OD2 B:ASP24 3.9 17.0 1.0 N B:THR26 4.2 4.6 1.0 N B:ASP24 4.2 7.3 1.0 O B:HOH2018 4.2 27.6 1.0 OD1 B:ASP20 4.3 6.0 1.0 CA B:ASP20 4.3 3.7 1.0 CG B:GLU31 4.3 5.2 1.0 OG1 B:THR26 4.4 20.3 1.0 N B:ILE27 4.4 3.0 1.0 N B:ASP22 4.4 7.2 1.0 CA B:THR26 4.4 5.1 1.0 CB B:ASP24 4.4 13.6 1.0 CB B:ASP20 4.4 4.8 1.0 CA B:ILE27 4.5 2.9 1.0 C B:ASP20 4.5 3.6 1.0 CB B:ASP22 4.5 5.2 1.0 N B:LYS21 4.5 5.9 1.0 O B:HOH2020 4.6 8.9 1.0 N B:GLY23 4.6 6.0 1.0 CA B:ASP24 4.7 7.8 1.0 N B:GLY25 4.7 7.2 1.0 CA B:ASP22 4.8 6.9 1.0 CG2 B:THR28 4.8 6.5 1.0 N B:THR28 4.8 3.1 1.0 C B:ASP22 4.9 4.8 1.0 C B:ASP24 5.0 9.4 1.0

Calcium binding site 6 out of 20 in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1149 b:4.1 occ:1.00 O B:HOH2056 2.2 13.6 1.0 O B:THR62 2.3 4.9 1.0 OD2 B:ASP56 2.3 5.1 1.0 OD1 B:ASP58 2.3 8.1 1.0 OE2 B:GLU67 2.4 6.2 1.0 OD1 B:ASN60 2.4 4.7 1.0 OE1 B:GLU67 2.6 4.5 1.0 CD B:GLU67 2.9 4.6 1.0 CG B:ASP58 3.3 7.8 1.0 CG B:ASN60 3.4 4.5 1.0 C B:THR62 3.5 3.3 1.0 CG B:ASP56 3.5 3.6 1.0 OD2 B:ASP58 3.7 15.3 1.0 ND2 B:ASN60 3.9 11.2 1.0 CA B:ASP56 4.2 6.2 1.0 N B:THR62 4.2 3.9 1.0 CB B:ASP56 4.3 5.3 1.0 N B:ASN60 4.3 4.8 1.0 N B:ILE63 4.4 3.5 1.0 OD1 B:ASP56 4.4 5.1 1.0 CG B:GLU67 4.4 3.4 1.0 CA B:THR62 4.4 3.3 1.0 CA B:ILE63 4.5 3.3 1.0 OG1 B:THR62 4.5 6.9 1.0 N B:ASP64 4.5 2.6 1.0 N B:ASP58 4.5 5.3 1.0 C B:ASP56 4.6 7.4 1.0 CB B:ASN60 4.6 5.4 1.0 CB B:ASP58 4.6 6.6 1.0 N B:ALA57 4.7 7.0 1.0 N B:GLY59 4.7 7.6 1.0 N B:GLY61 4.8 3.4 1.0 CA B:ASN60 4.8 6.7 1.0 O B:HOH2060 4.8 19.6 1.0 CA B:ASP58 4.9 9.0 1.0 C B:ILE63 4.9 3.4 1.0 C B:ASN60 5.0 3.3 1.0 CG B:ASP64 5.0 13.9 1.0 OD2 B:ASP64 5.0 24.3 1.0

Calcium binding site 7 out of 20 in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1150 b:4.5 occ:1.00 O B:TYR99 2.3 6.9 1.0 OD1 B:ASP95 2.3 10.0 1.0 OD2 B:ASP93 2.3 5.9 1.0 OD1 B:ASN97 2.4 5.6 1.0 O B:HOH2117 2.4 9.5 1.0 OE1 B:GLU104 2.5 7.4 1.0 OE2 B:GLU104 2.5 5.3 1.0 CD B:GLU104 2.9 4.8 1.0 CG B:ASN97 3.3 5.3 1.0 CG B:ASP95 3.3 12.2 1.0 C B:TYR99 3.5 5.5 1.0 CG B:ASP93 3.5 3.5 1.0 OD2 B:ASP95 3.8 20.8 1.0 ND2 B:ASN97 3.8 9.0 1.0 N B:TYR99 4.2 3.3 1.0 CA B:ASP93 4.3 4.8 1.0 N B:ASP95 4.3 6.9 1.0 CA B:TYR99 4.3 3.2 1.0 CB B:ASP93 4.3 4.8 1.0 N B:ASN97 4.3 4.2 1.0 OD1 B:ASP93 4.4 5.9 1.0 N B:ILE100 4.4 3.4 1.0 CG B:GLU104 4.4 4.5 1.0 C B:ASP93 4.4 7.6 1.0 CA B:ILE100 4.5 2.8 1.0 CB B:ASN97 4.5 6.9 1.0 CB B:ASP95 4.5 10.7 1.0 N B:LYS94 4.5 7.8 1.0 OE1 B:GLN135 4.6 9.8 1.0 N B:GLY96 4.6 7.1 1.0 CB B:TYR99 4.7 3.9 1.0 N B:SER101 4.7 3.5 1.0 CA B:ASP95 4.7 8.4 1.0 CA B:ASN97 4.8 6.8 1.0 N B:GLY98 4.9 4.2 1.0 C B:ASP95 4.9 8.0 1.0 O B:ASP93 5.0 8.1 1.0

Calcium binding site 8 out of 20 in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1151 b:4.9 occ:1.00 OD1 B:ASP129 2.3 5.4 1.0 O B:GLN135 2.3 6.5 1.0 OD1 B:ASP133 2.4 8.3 1.0 OD1 B:ASP131 2.4 6.3 1.0 OE2 B:GLU140 2.4 4.6 1.0 O B:HOH2115 2.4 5.8 1.0 OE1 B:GLU140 2.5 5.7 1.0 CD B:GLU140 2.8 3.0 1.0 CG B:ASP131 3.1 7.6 1.0 CG B:ASP133 3.2 8.9 1.0 CG B:ASP129 3.4 4.1 1.0 OD2 B:ASP131 3.4 11.3 1.0 C B:GLN135 3.5 4.2 1.0 OD2 B:ASP133 3.7 13.0 1.0 N B:ASP133 4.1 6.2 1.0 N B:GLN135 4.2 5.8 1.0 CB B:ASP129 4.2 5.5 1.0 CA B:ASP129 4.2 4.4 1.0 OD2 B:ASP129 4.3 6.8 1.0 CG B:GLU140 4.3 4.5 1.0 CB B:ASP133 4.4 8.2 1.0 CB B:ASP131 4.4 4.5 1.0 CA B:VAL136 4.4 3.0 1.0 N B:VAL136 4.4 4.1 1.0 N B:GLY132 4.4 4.0 1.0 N B:ASN137 4.4 3.5 1.0 CA B:GLN135 4.5 4.5 1.0 N B:ASP131 4.5 4.7 1.0 CA B:ASP133 4.6 6.9 1.0 C B:ASP129 4.6 4.0 1.0 N B:GLY134 4.6 6.6 1.0 CA B:ASP131 4.6 3.9 1.0 C B:ASP131 4.7 4.6 1.0 C B:ASP133 4.9 6.2 1.0 C B:VAL136 4.9 4.0 1.0 ND2 B:ASN137 5.0 8.0 1.0 O B:ASP129 5.0 6.2 1.0

Calcium binding site 9 out of 20 in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1152 b:11.2 occ:1.00 OD1 B:ASN53 2.3 4.2 1.0 O B:HOH2055 2.4 5.8 1.0 O B:HOH2051 2.4 12.1 1.0 O B:HOH2052 2.7 14.2 1.0 CG B:ASN53 3.5 4.7 1.0 CB B:ASN53 4.1 3.9 1.0 CA B:ASN53 4.4 4.0 1.0 OD1 B:ASP56 4.4 5.1 1.0 ND2 B:ASN53 4.5 9.9 1.0 O B:HOH2047 4.7 13.0 1.0 O B:HOH2045 4.8 22.3 1.0 O B:ASN53 4.9 5.7 1.0

Calcium binding site 10 out of 20 in the High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of High-Resolution Structure of the Complex Between Calmodulin and A Peptide From Calcineurin A within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1153 b:8.0 occ:1.00 O B:HOH2035 2.3 13.6 1.0 O B:HOH2108 2.4 10.4 1.0 O B:HOH2107 2.4 23.4 1.0 O B:HOH2102 4.3 22.2 1.0 OE2 B:GLU127 4.3 20.2 1.0 CD B:ARG126 4.4 8.7 1.0 O B:HOH2105 4.5 23.9 1.0 OE2 B:GLU123 4.6 12.2 1.0 OE1 B:GLU123 4.7 10.5 1.0 CG B:ARG126 4.7 14.5 1.0

V.Majava, P.Kursula. Domain Swapping and Different Oligomeric States For the Complex Between Calmodulin and the Calmodulin-Binding Domain of Calcineurin A Plos One V. 4 E5402 2009.
ISSN: ESSN 1932-6203
PubMed: 19404396
DOI: 10.1371/JOURNAL.PONE.0005402