Calcium in PDB 2f2p: 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: 2f2p 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)	50.00 / 2.60
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	139.549, 139.549, 45.592, 90.00, 90.00, 120.00
R / Rfree (%)	23.4 / 29.7

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 2f2p). 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: 2f2p:
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:51.7 occ:1.00 O A:THR26 2.5 44.1 1.0 OD2 A:ASP20 2.6 72.8 1.0 OE1 A:GLU31 2.7 43.3 1.0 OD2 A:ASP22 2.7 75.9 1.0 OE2 A:GLU31 2.8 38.8 1.0 OD1 A:ASP22 3.0 73.4 1.0 OD2 A:ASP24 3.1 74.3 1.0 CD A:GLU31 3.1 48.6 1.0 CG A:ASP22 3.1 78.0 1.0 OD1 A:ASP24 3.2 75.0 1.0 CG A:ASP24 3.3 68.2 1.0 CG A:ASP20 3.4 65.0 1.0 C A:THR26 3.7 47.0 1.0 OD1 A:ASP20 4.0 63.9 1.0 N A:ASP24 4.1 57.4 1.0 CA A:ASP20 4.2 59.1 1.0 N A:THR26 4.2 49.1 1.0 OG1 A:THR26 4.3 47.2 1.0 CB A:ASP20 4.3 64.6 1.0 N A:GLY23 4.4 67.7 1.0 CB A:ASP24 4.4 62.4 1.0 CB A:ASP22 4.5 75.3 1.0 N A:ASP22 4.5 73.1 1.0 CA A:THR26 4.5 47.8 1.0 CG A:GLU31 4.6 43.7 1.0 C A:ASP20 4.6 62.5 1.0 N A:LYS21 4.6 68.7 1.0 N A:ILE27 4.6 40.6 1.0 CA A:ASP24 4.7 52.2 1.0 CA A:ILE27 4.8 41.6 1.0 N A:GLY25 4.8 50.9 1.0 CA A:ASP22 4.9 75.8 1.0 C A:ASP22 4.9 74.3 1.0 N A:THR28 4.9 52.0 1.0 CB A:THR26 5.0 48.7 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:67.2 occ:1.00 O A:THR62 2.6 53.9 1.0 OE1 A:GLU67 2.7 49.1 1.0 OD2 A:ASP56 2.7 68.4 1.0 OE2 A:GLU67 2.7 49.8 1.0 OD1 A:ASP58 2.9 85.8 1.0 OD1 A:ASN60 2.9 69.5 1.0 OD2 A:ASP58 3.1 78.2 1.0 CD A:GLU67 3.1 45.7 1.0 CG A:ASN60 3.2 60.1 1.0 ND2 A:ASN60 3.2 75.5 1.0 CG A:ASP58 3.3 81.4 1.0 C A:THR62 3.6 55.9 1.0 CG A:ASP56 3.8 70.1 1.0 OD2 A:ASP64 3.9 72.0 1.0 N A:ASN60 4.1 68.7 1.0 N A:ASP64 4.3 47.0 1.0 CB A:ASN60 4.4 63.7 1.0 N A:ILE63 4.4 58.8 1.0 OD1 A:ASP56 4.4 62.9 1.0 CA A:ILE63 4.4 55.4 1.0 CG A:ASP64 4.5 61.4 1.0 N A:THR62 4.5 58.4 1.0 N A:GLY59 4.5 71.0 1.0 CG A:GLU67 4.6 39.6 1.0 OG1 A:THR62 4.6 65.2 1.0 N A:ASP58 4.6 77.3 1.0 CA A:THR62 4.6 56.1 1.0 CB A:ASP58 4.6 81.0 1.0 CA A:ASP56 4.6 72.5 1.0 CA A:ASN60 4.7 60.2 1.0 CB A:ASP56 4.8 66.5 1.0 C A:ILE63 4.8 52.7 1.0 N A:GLY61 4.9 58.8 1.0 N A:ALA57 4.9 75.5 1.0 C A:ASP58 5.0 77.8 1.0 CA A:ASP58 5.0 78.1 1.0 CB A:ASP64 5.0 48.6 1.0 C A:ASN60 5.0 59.9 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:40.3 occ:1.00 OE1 A:GLU104 2.5 38.9 1.0 ND2 A:ASN97 2.5 37.2 1.0 O A:TYR99 2.6 62.9 1.0 OD2 A:ASP93 2.7 58.1 1.0 OD1 A:ASP95 2.7 72.6 1.0 OE2 A:GLU104 2.8 38.4 1.0 OD2 A:ASP95 2.9 65.2 1.0 CD A:GLU104 3.0 46.0 1.0 CG A:ASP95 3.1 73.9 1.0 CG A:ASN97 3.2 46.0 1.0 C A:TYR99 3.3 44.3 1.0 OD1 A:ASN97 3.5 53.9 1.0 CG A:ASP93 3.7 52.3 1.0 N A:TYR99 3.9 44.5 1.0 N A:ILE100 4.0 40.6 1.0 CA A:TYR99 4.0 43.3 1.0 CA A:ILE100 4.1 43.3 1.0 N A:SER101 4.3 65.2 1.0 CB A:TYR99 4.3 47.1 1.0 N A:ASN97 4.3 26.7 1.0 CB A:ASN97 4.4 48.7 1.0 CA A:ASP93 4.4 37.9 1.0 OD1 A:ASP93 4.5 50.3 1.0 CG A:GLU104 4.5 33.7 1.0 CB A:ASP95 4.5 61.4 1.0 CB A:ASP93 4.6 40.6 1.0 N A:GLY96 4.6 54.8 1.0 N A:ASP95 4.7 59.8 1.0 C A:ILE100 4.7 55.3 1.0 C A:ASP93 4.7 45.4 1.0 N A:GLY98 4.8 62.1 1.0 CA A:ASN97 4.8 45.4 1.0 OG A:SER101 4.9 78.2 1.0 N A:LYS94 4.9 54.6 1.0 CA A:ASP95 5.0 60.4 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:38.3 occ:1.00 OD1 A:ASP129 2.6 36.9 1.0 O A:GLN135 2.6 42.7 1.0 OD1 A:ASP131 2.6 51.4 1.0 OE2 A:GLU140 2.6 47.2 1.0 OD1 A:ASP133 2.9 56.0 1.0 OD2 A:ASP133 3.1 50.1 1.0 OE1 A:GLU140 3.1 35.6 1.0 CG A:ASP133 3.1 53.4 1.0 CG A:ASP131 3.2 51.4 1.0 CD A:GLU140 3.2 48.6 1.0 OD2 A:ASP131 3.2 52.5 1.0 C A:GLN135 3.5 43.3 1.0 CG A:ASP129 3.6 52.3 1.0 N A:ASP133 4.0 46.0 1.0 N A:GLN135 4.1 38.6 1.0 N A:VAL136 4.2 35.0 1.0 CB A:ASP133 4.2 47.8 1.0 CA A:VAL136 4.2 30.8 1.0 CA A:ASP129 4.3 46.8 1.0 CA A:GLN135 4.4 38.9 1.0 OD2 A:ASP129 4.4 41.5 1.0 N A:ASN137 4.4 25.9 1.0 CB A:ASP129 4.4 44.5 1.0 N A:ASP131 4.5 48.1 1.0 N A:GLY132 4.5 44.0 1.0 CB A:ASP131 4.6 44.8 1.0 CA A:ASP133 4.6 48.3 1.0 C A:ASP129 4.6 45.5 1.0 N A:GLY134 4.6 44.3 1.0 CG A:GLU140 4.7 37.6 1.0 N A:ILE130 4.7 41.0 1.0 C A:VAL136 4.8 26.0 1.0 CB A:GLN135 4.8 42.3 1.0 C A:ASP133 4.9 48.0 1.0 CA A:ASP131 4.9 42.4 1.0 C A:ASP131 5.0 43.8 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:45.0 occ:1.00 OD2 B:ASP22 2.5 57.1 1.0 O B:THR26 2.5 31.1 1.0 OD2 B:ASP20 2.6 59.1 1.0 OE1 B:GLU31 2.7 54.2 1.0 OE2 B:GLU31 2.8 53.2 1.0 OD1 B:ASP24 2.8 60.6 1.0 OD2 B:ASP24 2.9 60.6 1.0 CG B:ASP24 3.0 59.2 1.0 CD B:GLU31 3.1 50.0 1.0 CG B:ASP22 3.3 55.1 1.0 CG B:ASP20 3.4 52.5 1.0 OD1 B:ASP22 3.5 44.6 1.0 C B:THR26 3.7 43.8 1.0 OD1 B:ASP20 3.9 57.1 1.0 N B:ASP24 4.1 55.8 1.0 CA B:ASP20 4.1 49.5 1.0 CB B:ASP20 4.3 50.1 1.0 CB B:ASP24 4.3 61.4 1.0 N B:ASP22 4.4 62.2 1.0 N B:THR26 4.5 45.9 1.0 C B:ASP20 4.5 58.2 1.0 OG1 B:THR26 4.5 43.7 1.0 CB B:ASP22 4.6 54.1 1.0 CG B:GLU31 4.6 50.1 1.0 N B:GLY23 4.6 65.2 1.0 CA B:ILE27 4.6 35.5 1.0 N B:ILE27 4.6 39.1 1.0 CA B:ASP24 4.6 52.8 1.0 CA B:THR26 4.7 47.0 1.0 N B:LYS21 4.7 62.1 1.0 C B:ASP22 4.8 65.3 1.0 CA B:ASP22 4.8 63.1 1.0 N B:THR28 5.0 43.4 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:52.4 occ:1.00 OD2 B:ASP56 2.6 62.3 1.0 OE2 B:GLU67 2.7 38.5 1.0 O B:THR62 2.7 49.8 1.0 OD1 B:ASP58 2.8 69.5 1.0 OE1 B:GLU67 2.8 40.7 1.0 OD2 B:ASP58 3.0 67.3 1.0 OD1 B:ASN60 3.0 81.5 1.0 CD B:GLU67 3.1 41.3 1.0 CG B:ASP58 3.2 69.2 1.0 CG B:ASN60 3.2 65.4 1.0 ND2 B:ASN60 3.2 64.2 1.0 CG B:ASP56 3.7 59.4 1.0 C B:THR62 3.8 51.4 1.0 N B:ASN60 4.0 58.0 1.0 OG1 B:THR62 4.3 60.4 1.0 CB B:ASN60 4.3 58.6 1.0 OD1 B:ASP56 4.4 61.8 1.0 CA B:ASP56 4.4 54.3 1.0 N B:GLY59 4.4 65.1 1.0 CA B:ILE63 4.5 49.3 1.0 CB B:ASP58 4.5 63.6 1.0 N B:THR62 4.5 56.8 1.0 N B:ASP58 4.6 64.7 1.0 CB B:ASP56 4.6 57.8 1.0 N B:ASP64 4.6 40.0 1.0 CG B:GLU67 4.6 39.8 1.0 N B:ILE63 4.6 50.6 1.0 OD2 B:ASP64 4.6 52.5 1.0 CA B:ASN60 4.7 54.9 1.0 C B:ASP56 4.7 51.8 1.0 CA B:THR62 4.8 52.4 1.0 CG B:ASP64 4.9 39.6 1.0 N B:GLY61 4.9 57.6 1.0 CA B:ASP58 4.9 67.7 1.0 C B:ASP58 4.9 68.9 1.0 N B:ALA57 4.9 55.5 1.0 C B:ILE63 5.0 43.5 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:41.9 occ:1.00 O B:TYR99 2.5 40.5 1.0 OE2 B:GLU104 2.6 30.8 1.0 OE1 B:GLU104 2.6 33.2 1.0 OD2 B:ASP93 2.7 45.5 1.0 ND2 B:ASN97 2.7 41.5 1.0 OD1 B:ASP95 2.8 63.0 1.0 CD B:GLU104 2.9 30.2 1.0 OD2 B:ASP95 3.2 47.2 1.0 CG B:ASN97 3.2 40.2 1.0 OD1 B:ASN97 3.2 52.9 1.0 CG B:ASP95 3.3 54.5 1.0 C B:TYR99 3.4 33.2 1.0 CG B:ASP93 3.7 49.4 1.0 N B:ILE100 4.2 34.9 1.0 N B:TYR99 4.2 38.1 1.0 CA B:TYR99 4.3 35.8 1.0 CA B:ILE100 4.3 31.4 1.0 N B:ASN97 4.4 33.5 1.0 CG B:GLU104 4.4 18.9 1.0 CA B:ASP93 4.4 39.6 1.0 OD1 B:ASP93 4.4 44.3 1.0 CB B:TYR99 4.4 40.8 1.0 CB B:ASN97 4.4 38.9 1.0 N B:ASP95 4.5 48.2 1.0 CB B:ASP95 4.6 48.5 1.0 CB B:ASP93 4.6 47.1 1.0 N B:SER101 4.6 39.4 1.0 N B:GLY96 4.7 37.3 1.0 C B:ASP93 4.7 43.1 1.0 O B:HOH1008 4.7 51.6 1.0 N B:LYS94 4.8 40.8 1.0 CA B:ASN97 4.9 39.9 1.0 OG B:SER101 4.9 38.3 1.0 CA B:ASP95 5.0 45.6 1.0 C B:ILE100 5.0 38.2 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:53.6 occ:1.00 OD1 B:ASP129 2.7 46.3 1.0 OD1 B:ASP133 2.7 46.3 1.0 OD1 B:ASP131 2.7 62.9 1.0 OE2 B:GLU140 2.8 48.1 1.0 O B:GLN135 2.8 61.8 1.0 OD2 B:ASP131 3.0 48.0 1.0 OE1 B:GLU140 3.0 60.1 1.0 CG B:ASP131 3.1 55.2 1.0 CD B:GLU140 3.2 56.6 1.0 CG B:ASP133 3.3 45.2 1.0 C B:GLN135 3.4 50.0 1.0 OD2 B:ASP133 3.5 39.0 1.0 CG B:ASP129 3.7 57.7 1.0 N B:VAL136 4.1 48.6 1.0 ND2 B:ASN137 4.1 63.3 1.0 CA B:VAL136 4.1 43.3 1.0 N B:ASN137 4.2 38.4 1.0 N B:GLN135 4.2 48.9 1.0 CA B:GLN135 4.3 52.6 1.0 OD2 B:ASP129 4.4 53.3 1.0 N B:ASP133 4.4 42.2 1.0 CA B:ASP129 4.4 60.0 1.0 CB B:ASP129 4.5 56.6 1.0 CB B:ASP131 4.5 53.0 1.0 CB B:ASP133 4.5 43.2 1.0 N B:ASP131 4.6 56.1 1.0 N B:ILE130 4.6 61.8 1.0 C B:VAL136 4.6 43.0 1.0 CG B:GLU140 4.6 58.2 1.0 CG B:ASN137 4.7 52.0 1.0 N B:GLY132 4.7 57.4 1.0 CB B:GLN135 4.7 50.3 1.0 CA B:ASP133 4.9 43.0 1.0 C B:ASP129 4.9 61.2 1.0 CA B:ASP131 5.0 60.4 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