Calcium in PDB 2f2o: Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode

The structure of Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode, PDB code: 2f2o was solved by Q.Ye, A.Wong, Z.Jia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.42 / 2.17
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.237, 42.769, 71.150, 90.00, 110.39, 90.00
R / Rfree (%)	20.4 / 28.9

The binding sites of Calcium atom in the Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode (pdb code 2f2o). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode, PDB code: 2f2o:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:36.2 occ:1.00 OD1 A:ASP24 2.1 27.9 1.0 OD2 A:ASP20 2.2 26.4 1.0 OE2 A:GLU31 2.3 33.5 1.0 O A:HOH1050 2.4 48.8 1.0 O A:THR26 2.4 28.1 1.0 OE1 A:GLU31 2.5 29.3 1.0 OD2 A:ASP22 2.5 24.0 1.0 CD A:GLU31 2.8 33.4 1.0 CG A:ASP24 3.3 30.7 1.0 CG A:ASP20 3.3 33.5 1.0 CG A:ASP22 3.5 32.6 1.0 C A:THR26 3.5 27.4 1.0 CA A:ASP20 4.0 27.3 1.0 OD2 A:ASP24 4.0 31.4 1.0 OD1 A:ASP22 4.0 27.4 1.0 OG1 A:THR26 4.0 25.8 1.0 OD1 A:ASP20 4.1 27.7 1.0 N A:THR26 4.2 25.3 1.0 CB A:ASP20 4.2 26.3 1.0 CB A:ASP24 4.3 36.4 1.0 C A:ASP20 4.3 28.6 1.0 N A:ASP22 4.3 31.1 1.0 N A:ASP24 4.3 32.3 1.0 CG A:GLU31 4.4 34.1 1.0 CA A:THR26 4.4 28.0 1.0 N A:ILE27 4.5 29.4 1.0 N A:GLY23 4.5 32.0 1.0 CA A:ILE27 4.5 28.6 1.0 N A:LYS21 4.6 28.5 1.0 CA A:ASP22 4.6 32.2 1.0 CB A:ASP22 4.7 32.2 1.0 O A:HOH1058 4.7 55.4 1.0 N A:GLY25 4.8 29.7 1.0 C A:ASP22 4.8 33.1 1.0 CA A:ASP24 4.8 32.6 1.0 N A:THR28 4.9 31.2 1.0 CB A:THR26 4.9 29.5 1.0 O A:ASP20 4.9 28.4 1.0

Calcium binding site 2 out of 8 in the Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:44.8 occ:1.00 O A:HOH1085 2.3 61.7 1.0 OD2 A:ASP56 2.3 33.2 1.0 OD1 A:ASP58 2.4 25.6 1.0 O A:THR62 2.5 22.2 1.0 OD1 A:ASN60 2.5 31.7 1.0 OE2 A:GLU67 2.5 31.8 1.0 OE1 A:GLU67 2.6 29.8 1.0 CD A:GLU67 2.9 32.1 1.0 CG A:ASP58 3.5 33.9 1.0 CG A:ASP56 3.5 29.7 1.0 CG A:ASN60 3.5 33.9 1.0 C A:THR62 3.6 26.7 1.0 OD2 A:ASP58 3.8 37.3 1.0 O A:HOH1026 3.9 39.8 1.0 ND2 A:ASN60 4.0 36.7 1.0 OD1 A:ASP56 4.2 31.2 1.0 CA A:ASP56 4.2 32.3 1.0 N A:ASN60 4.3 31.4 1.0 N A:THR62 4.4 29.6 1.0 CB A:ASP56 4.4 32.2 1.0 N A:ILE63 4.5 28.8 1.0 CG A:GLU67 4.5 28.8 1.0 N A:ASP58 4.5 35.5 1.0 CA A:ILE63 4.5 29.1 1.0 CB A:ASN60 4.5 31.2 1.0 C A:ASP56 4.6 32.9 1.0 N A:GLY59 4.6 34.2 1.0 CA A:THR62 4.6 27.1 1.0 N A:ASP64 4.6 27.0 1.0 CB A:ASP58 4.7 35.9 1.0 N A:GLY61 4.8 28.6 1.0 N A:ALA57 4.8 32.7 1.0 OD2 A:ASP64 4.8 36.5 1.0 CA A:ASN60 4.8 31.2 1.0 CA A:ASP58 4.9 35.9 1.0 OG1 A:THR62 4.9 29.0 1.0 C A:ASP58 5.0 35.2 1.0 C A:ILE63 5.0 28.4 1.0

Calcium binding site 3 out of 8 in the Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:32.8 occ:1.00 OD2 A:ASP93 2.2 28.9 1.0 OD1 A:ASP95 2.3 32.8 1.0 O A:TYR99 2.3 32.6 1.0 OE1 A:GLU104 2.4 27.8 1.0 O A:HOH1006 2.4 35.3 1.0 ND2 A:ASN97 2.4 21.5 1.0 OE2 A:GLU104 2.5 27.6 1.0 CD A:GLU104 2.8 27.9 1.0 CG A:ASP95 3.2 33.3 1.0 CG A:ASP93 3.3 28.1 1.0 OD2 A:ASP95 3.4 29.5 1.0 CG A:ASN97 3.4 34.0 1.0 C A:TYR99 3.5 29.9 1.0 OD1 A:ASN97 4.0 35.0 1.0 OD1 A:ASP93 4.1 27.2 1.0 CA A:ASP93 4.1 26.1 1.0 N A:TYR99 4.2 28.7 1.0 N A:ASN97 4.2 33.0 1.0 CB A:ASP93 4.2 27.4 1.0 C A:ASP93 4.3 26.6 1.0 CG A:GLU104 4.4 28.6 1.0 CA A:TYR99 4.4 30.2 1.0 O A:HOH1005 4.4 30.8 1.0 CB A:ASN97 4.5 35.2 1.0 N A:ILE100 4.5 31.3 1.0 CB A:ASP95 4.5 33.6 1.0 N A:LYS94 4.6 32.5 1.0 O A:HOH1012 4.6 48.8 1.0 CA A:ILE100 4.6 29.8 1.0 N A:ASP95 4.7 32.7 1.0 CA A:ASN97 4.7 34.0 1.0 N A:SER101 4.7 29.7 1.0 O A:HOH1011 4.7 44.9 1.0 N A:GLY96 4.8 32.3 1.0 O A:ASP93 4.8 27.7 1.0 CB A:TYR99 4.8 31.0 1.0 N A:GLY98 4.8 33.7 1.0 CA A:ASP95 4.9 33.5 1.0 C A:ASN97 4.9 35.5 1.0 C A:ASP95 4.9 33.5 1.0

Calcium binding site 4 out of 8 in the Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1004 b:33.7 occ:1.00 OD1 A:ASP133 2.2 33.1 1.0 OD1 A:ASP129 2.3 25.9 1.0 O A:GLN135 2.4 31.7 1.0 OD1 A:ASP131 2.5 29.0 1.0 O A:HOH1007 2.5 37.5 1.0 OE2 A:GLU140 2.5 34.0 1.0 OE1 A:GLU140 2.7 24.0 1.0 CD A:GLU140 3.0 29.2 1.0 CG A:ASP133 3.3 35.1 1.0 CG A:ASP131 3.3 31.1 1.0 OD2 A:ASP131 3.4 28.3 1.0 CG A:ASP129 3.4 33.4 1.0 C A:GLN135 3.6 27.9 1.0 OD2 A:ASP133 3.8 25.2 1.0 N A:ASP133 4.0 28.0 1.0 N A:GLN135 4.1 23.8 1.0 CA A:ASP129 4.2 29.7 1.0 OD2 A:ASP129 4.2 29.0 1.0 CB A:ASP129 4.3 29.4 1.0 N A:ASP131 4.4 32.2 1.0 CB A:ASP133 4.4 31.1 1.0 CA A:VAL136 4.4 29.9 1.0 N A:VAL136 4.4 28.3 1.0 N A:GLY132 4.4 32.6 1.0 N A:ASN137 4.5 31.1 1.0 CG A:GLU140 4.5 32.2 1.0 C A:ASP129 4.5 30.6 1.0 CA A:GLN135 4.5 26.9 1.0 CB A:ASP131 4.6 32.8 1.0 CA A:ASP133 4.6 30.7 1.0 N A:GLY134 4.7 29.7 1.0 N A:ILE130 4.8 28.7 1.0 CA A:ASP131 4.8 34.3 1.0 C A:ASP131 4.8 36.1 1.0 C A:ASP133 4.9 30.8 1.0 C A:VAL136 4.9 30.3 1.0 O A:ASP129 5.0 30.0 1.0

Calcium binding site 5 out of 8 in the Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1001 b:62.0 occ:1.00 OD2 B:ASP20 2.2 32.8 1.0 OE2 B:GLU31 2.2 44.0 1.0 O B:THR26 2.5 32.2 1.0 OD1 B:ASP22 2.7 32.6 1.0 OD1 B:ASP24 2.7 39.3 1.0 O B:HOH1058 2.9 61.1 1.0 CD B:GLU31 3.4 42.4 1.0 CG B:ASP20 3.4 37.1 1.0 CG B:ASP24 3.5 40.5 1.0 CG B:ASP22 3.6 36.9 1.0 C B:THR26 3.7 32.3 1.0 OD2 B:ASP24 3.7 38.9 1.0 OD2 B:ASP22 3.8 30.7 1.0 OE1 B:GLU31 4.0 45.6 1.0 N B:THR26 4.2 34.4 1.0 OD1 B:ASP20 4.2 34.9 1.0 N B:ASP24 4.2 41.9 1.0 CA B:ASP20 4.4 32.7 1.0 CB B:ASP20 4.4 33.9 1.0 CG B:GLU31 4.5 35.8 1.0 CA B:THR26 4.5 33.6 1.0 N B:GLY23 4.5 42.5 1.0 CB B:ASP24 4.7 41.4 1.0 N B:ILE27 4.7 29.7 1.0 CA B:ILE27 4.7 27.5 1.0 CA B:ASP24 4.8 40.7 1.0 C B:ASP20 4.9 35.6 1.0 N B:ASP22 4.9 38.8 1.0 CB B:ASP22 4.9 37.9 1.0

Calcium binding site 6 out of 8 in the Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1002 b:48.6 occ:1.00 O B:THR62 2.2 31.9 1.0 OE1 B:GLU67 2.4 33.8 1.0 OD1 B:ASN60 2.4 29.7 1.0 OD2 B:ASP56 2.4 31.0 1.0 OD1 B:ASP58 2.4 32.5 1.0 OE2 B:GLU67 2.7 30.1 1.0 CD B:GLU67 2.9 33.7 1.0 CG B:ASP58 3.3 40.8 1.0 OD2 B:ASP58 3.3 45.0 1.0 C B:THR62 3.5 29.8 1.0 CG B:ASN60 3.6 38.8 1.0 CG B:ASP56 3.6 36.1 1.0 CA B:ASP56 4.1 34.0 1.0 ND2 B:ASN60 4.3 21.8 1.0 CG B:GLU67 4.3 26.9 1.0 N B:THR62 4.3 32.1 1.0 N B:ASN60 4.4 38.9 1.0 N B:ILE63 4.4 28.9 1.0 CB B:ASP56 4.4 32.7 1.0 CA B:ILE63 4.4 30.4 1.0 N B:ASP64 4.4 24.8 1.0 C B:ASP56 4.5 33.4 1.0 CA B:THR62 4.5 31.1 1.0 N B:ASP58 4.5 38.1 1.0 OD1 B:ASP56 4.6 42.2 1.0 CB B:ASN60 4.6 33.5 1.0 N B:ALA57 4.7 34.0 1.0 CB B:ASP58 4.8 40.8 1.0 OG1 B:THR62 4.8 25.2 1.0 N B:GLY61 4.8 37.7 1.0 CA B:ASN60 4.8 37.7 1.0 C B:ILE63 4.9 28.3 1.0 N B:GLY59 4.9 40.2 1.0 C B:ASN60 4.9 37.7 1.0 O B:ASP56 5.0 34.5 1.0

Calcium binding site 7 out of 8 in the Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1003 b:39.3 occ:1.00 O B:HOH1007 2.3 35.0 1.0 OD2 B:ASP93 2.3 30.9 1.0 O B:TYR99 2.3 30.8 1.0 OD1 B:ASP95 2.4 35.4 1.0 OE2 B:GLU104 2.4 33.1 1.0 ND2 B:ASN97 2.5 23.8 1.0 OE1 B:GLU104 2.5 25.2 1.0 CD B:GLU104 2.8 32.1 1.0 CG B:ASP95 3.2 33.5 1.0 OD2 B:ASP95 3.3 31.0 1.0 C B:TYR99 3.5 30.6 1.0 CG B:ASN97 3.5 31.9 1.0 CG B:ASP93 3.5 31.4 1.0 OD1 B:ASN97 4.1 31.0 1.0 CA B:ASP93 4.1 30.4 1.0 N B:TYR99 4.2 30.9 1.0 N B:ASN97 4.2 27.5 1.0 CG B:GLU104 4.3 35.5 1.0 CB B:ASP93 4.4 29.0 1.0 CA B:TYR99 4.4 29.4 1.0 C B:ASP93 4.4 31.4 1.0 N B:ASP95 4.4 33.0 1.0 N B:ILE100 4.4 32.0 1.0 OD1 B:ASP93 4.4 29.6 1.0 O B:HOH1021 4.4 36.2 1.0 CB B:ASN97 4.5 28.8 1.0 CA B:ILE100 4.5 32.9 1.0 N B:LYS94 4.6 34.9 1.0 CB B:ASP95 4.6 31.3 1.0 N B:GLY96 4.6 30.8 1.0 N B:GLY98 4.8 30.8 1.0 CA B:ASN97 4.8 28.4 1.0 CB B:TYR99 4.8 29.5 1.0 O B:ASP93 4.9 29.2 1.0 CA B:ASP95 4.9 32.5 1.0 N B:SER101 4.9 30.1 1.0 C B:ASP95 4.9 32.3 1.0 C B:ASN97 5.0 28.8 1.0

Calcium binding site 8 out of 8 in the Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1004 b:34.4 occ:1.00 OD1 B:ASP129 2.2 24.1 1.0 OE2 B:GLU140 2.3 29.0 1.0 O B:HOH1010 2.4 37.3 1.0 O B:GLN135 2.4 27.1 1.0 OD1 B:ASP131 2.5 35.8 1.0 OD1 B:ASP133 2.5 28.9 1.0 OE1 B:GLU140 2.6 30.7 1.0 CD B:GLU140 2.8 23.7 1.0 CG B:ASP131 3.3 37.2 1.0 CG B:ASP133 3.3 25.5 1.0 CG B:ASP129 3.4 32.2 1.0 OD2 B:ASP131 3.6 29.6 1.0 C B:GLN135 3.6 29.5 1.0 OD2 B:ASP133 3.7 25.9 1.0 CA B:ASP129 4.0 31.1 1.0 CB B:ASP129 4.1 31.9 1.0 N B:ASP133 4.1 29.3 1.0 N B:ASN137 4.3 27.1 1.0 OD2 B:ASP129 4.3 27.5 1.0 N B:GLN135 4.3 26.9 1.0 N B:ASP131 4.3 34.0 1.0 C B:ASP129 4.4 33.6 1.0 CB B:ASP133 4.4 27.7 1.0 CG B:GLU140 4.4 26.5 1.0 N B:VAL136 4.4 29.0 1.0 CA B:VAL136 4.5 29.2 1.0 CB B:ASP131 4.5 34.6 1.0 N B:GLY132 4.5 35.6 1.0 N B:ILE130 4.6 33.2 1.0 CA B:GLN135 4.6 26.9 1.0 CA B:ASP133 4.6 27.2 1.0 CA B:ASP131 4.7 34.8 1.0 C B:ASP131 4.8 35.3 1.0 N B:GLY134 4.8 27.7 1.0 O B:ASP129 4.9 33.8 1.0 C B:VAL136 4.9 29.5 1.0 ND2 B:ASN137 4.9 29.5 1.0 CG B:ASN137 5.0 29.5 1.0 C B:ASP133 5.0 28.0 1.0

Q.Ye, X.Li, A.Wong, Q.Wei, Z.Jia. Structure of Calmodulin Bound to A Calcineurin Peptide: A New Way of Making An Old Binding Mode. Biochemistry V. 45 738 2006.
ISSN: ISSN 0006-2960
PubMed: 16411749
DOI: 10.1021/BI0521801