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Calcium in PDB 2r28: The Complex Structure of Calmodulin Bound to A Calcineurin Peptide

Enzymatic activity of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide

All present enzymatic activity of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide:
3.1.3.16;

Protein crystallography data

The structure of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide, PDB code: 2r28 was solved by Q.Ye, J.Zheng, Z.Jia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 66.67 / 1.86
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 120.700, 43.200, 70.900, 90.00, 109.90, 90.00
R / Rfree (%) 23 / 28

Calcium Binding Sites:

The binding sites of Calcium atom in the The Complex Structure of Calmodulin Bound to A Calcineurin Peptide (pdb code 2r28). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the The Complex Structure of Calmodulin Bound to A Calcineurin Peptide, PDB code: 2r28:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 2r28

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Calcium binding site 1 out of 8 in the The Complex Structure of Calmodulin Bound to A Calcineurin Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1001

b:26.7
occ:1.00
OD2 A:ASP21 2.2 26.8 1.0
OD1 A:ASP25 2.3 29.8 1.0
O A:THR27 2.3 26.0 1.0
O A:HOH1099 2.4 37.5 1.0
OD2 A:ASP23 2.5 29.8 1.0
OE1 A:GLU32 2.7 27.5 1.0
OE2 A:GLU32 2.7 31.6 1.0
CD A:GLU32 3.0 30.1 1.0
CG A:ASP25 3.4 29.6 1.0
CG A:ASP21 3.4 28.6 1.0
C A:THR27 3.5 27.2 1.0
CG A:ASP23 3.6 34.2 1.0
OD2 A:ASP25 4.0 31.5 1.0
N A:THR27 4.1 25.9 1.0
OG1 A:THR27 4.1 27.0 1.0
CA A:ASP21 4.1 28.2 1.0
OD1 A:ASP21 4.2 30.4 1.0
N A:ASP25 4.2 29.5 1.0
OD1 A:ASP23 4.2 35.3 1.0
CB A:ASP21 4.3 27.9 1.0
N A:ASP23 4.3 31.9 1.0
CA A:THR27 4.4 26.4 1.0
C A:ASP21 4.4 30.1 1.0
CB A:ASP25 4.4 29.7 1.0
N A:ILE28 4.5 24.6 1.0
N A:LYS22 4.5 31.4 1.0
CA A:ILE28 4.5 24.2 1.0
N A:GLY24 4.5 31.6 1.0
CG A:GLU32 4.5 29.6 1.0
CB A:ASP23 4.7 32.7 1.0
CA A:ASP25 4.8 29.5 1.0
N A:GLY26 4.8 28.0 1.0
CA A:ASP23 4.8 33.7 1.0
O A:HOH1079 4.9 35.8 1.0
C A:ASP23 4.9 33.1 1.0
CB A:THR27 4.9 27.4 1.0
O A:ASP21 4.9 30.9 1.0
N A:THR29 5.0 25.3 1.0

Calcium binding site 2 out of 8 in 2r28

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Calcium binding site 2 out of 8 in the The Complex Structure of Calmodulin Bound to A Calcineurin Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1002

b:30.6
occ:1.00
OD2 A:ASP57 2.1 36.7 1.0
O A:THR63 2.3 25.7 1.0
OE2 A:GLU68 2.4 31.4 1.0
OD1 A:ASP59 2.4 41.7 1.0
OD1 A:ASN61 2.5 35.7 1.0
OE1 A:GLU68 2.8 31.7 1.0
CD A:GLU68 2.9 31.5 1.0
CG A:ASP57 3.3 34.6 1.0
CG A:ASP59 3.4 42.4 1.0
CG A:ASN61 3.5 36.2 1.0
C A:THR63 3.5 27.4 1.0
O A:HOH1011 3.6 31.8 1.0
OD2 A:ASP59 3.8 46.0 1.0
CA A:ASP57 4.1 35.0 1.0
CB A:ASP57 4.1 35.3 1.0
ND2 A:ASN61 4.1 36.3 1.0
OD1 A:ASP57 4.2 34.2 1.0
N A:THR63 4.3 29.2 1.0
N A:ASN61 4.3 38.9 1.0
N A:ASP59 4.4 41.3 1.0
N A:ILE64 4.4 26.9 1.0
CG A:GLU68 4.4 28.9 1.0
CA A:ILE64 4.5 26.6 1.0
C A:ASP57 4.5 36.6 1.0
N A:ASP65 4.5 26.1 1.0
OG1 A:THR63 4.5 25.8 1.0
CA A:THR63 4.5 27.1 1.0
N A:GLY60 4.5 42.0 1.0
CB A:ASN61 4.6 36.0 1.0
N A:ALA58 4.7 37.0 1.0
CB A:ASP59 4.7 42.3 1.0
O A:HOH1054 4.7 48.7 1.0
N A:GLY62 4.8 31.2 1.0
CA A:ASN61 4.8 36.7 1.0
CA A:ASP59 4.9 41.4 1.0
CG A:ASP65 4.9 29.9 1.0
OD2 A:ASP65 4.9 32.3 1.0
C A:ILE64 4.9 26.1 1.0
C A:ASN61 4.9 35.0 1.0
OD1 A:ASP65 4.9 32.0 1.0
C A:ASP59 5.0 41.9 1.0

Calcium binding site 3 out of 8 in 2r28

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Calcium binding site 3 out of 8 in the The Complex Structure of Calmodulin Bound to A Calcineurin Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1003

b:23.2
occ:1.00
O A:TYR100 2.2 25.8 1.0
OD2 A:ASP94 2.3 20.5 1.0
ND2 A:ASN98 2.3 19.3 1.0
O A:HOH1005 2.4 25.0 1.0
OD1 A:ASP96 2.4 28.2 1.0
OE1 A:GLU105 2.6 25.6 1.0
OE2 A:GLU105 2.6 26.6 1.0
CD A:GLU105 2.9 25.2 1.0
CG A:ASP96 3.3 27.8 1.0
CG A:ASN98 3.4 27.6 1.0
CG A:ASP94 3.4 21.8 1.0
C A:TYR100 3.5 24.3 1.0
OD2 A:ASP96 3.6 29.8 1.0
OD1 A:ASN98 4.0 30.4 1.0
N A:TYR100 4.1 23.8 1.0
N A:ASN98 4.2 28.4 1.0
CA A:ASP94 4.2 25.1 1.0
OD1 A:ASP94 4.3 25.7 1.0
CB A:ASP94 4.3 24.0 1.0
CA A:TYR100 4.3 24.6 1.0
CG A:GLU105 4.3 25.3 1.0
O A:HOH1006 4.4 25.2 1.0
N A:ILE101 4.4 21.7 1.0
C A:ASP94 4.5 26.4 1.0
N A:ASP96 4.5 29.4 1.0
CB A:ASN98 4.5 27.6 1.0
CA A:ILE101 4.5 21.7 1.0
CB A:ASP96 4.6 29.2 1.0
N A:GLY97 4.6 29.6 1.0
N A:SER102 4.7 20.3 1.0
CB A:TYR100 4.7 25.0 1.0
CA A:ASN98 4.7 26.2 1.0
N A:GLY99 4.7 24.2 1.0
N A:LYS95 4.8 28.6 1.0
O A:ASP94 4.8 28.1 1.0
CA A:ASP96 4.8 29.7 1.0
O A:HOH1018 4.9 30.8 1.0
C A:ASP96 4.9 29.2 1.0
O A:HOH1036 5.0 36.9 1.0
C A:ASN98 5.0 26.9 1.0

Calcium binding site 4 out of 8 in 2r28

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Calcium binding site 4 out of 8 in the The Complex Structure of Calmodulin Bound to A Calcineurin Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1004

b:21.5
occ:1.00
OD1 A:ASP130 2.3 23.0 1.0
O A:GLN136 2.3 21.0 1.0
OE2 A:GLU141 2.4 24.2 1.0
OD1 A:ASP134 2.4 19.1 1.0
O A:HOH1055 2.5 24.7 1.0
OD1 A:ASP132 2.5 26.5 1.0
OE1 A:GLU141 2.7 27.6 1.0
CD A:GLU141 2.9 27.1 1.0
CG A:ASP134 3.3 24.7 1.0
CG A:ASP132 3.3 29.9 1.0
CG A:ASP130 3.4 21.1 1.0
C A:GLN136 3.5 21.3 1.0
OD2 A:ASP132 3.6 33.9 1.0
OD2 A:ASP134 3.7 24.6 1.0
N A:ASP134 4.1 24.2 1.0
CA A:ASP130 4.1 22.2 1.0
CB A:ASP130 4.2 21.3 1.0
N A:GLN136 4.2 20.1 1.0
OD2 A:ASP130 4.2 21.0 1.0
CA A:VAL137 4.4 21.8 1.0
N A:VAL137 4.4 20.4 1.0
CG A:GLU141 4.4 23.2 1.0
N A:ASN138 4.4 23.0 1.0
N A:ASP132 4.4 27.9 1.0
CB A:ASP134 4.4 23.7 1.0
C A:ASP130 4.5 24.4 1.0
CA A:GLN136 4.5 21.2 1.0
N A:GLY133 4.6 27.9 1.0
N A:GLY135 4.6 21.8 1.0
CB A:ASP132 4.6 29.4 1.0
CA A:ASP134 4.7 23.2 1.0
N A:ILE131 4.7 25.3 1.0
CA A:ASP132 4.8 30.1 1.0
C A:VAL137 4.9 22.6 1.0
C A:ASP132 4.9 29.5 1.0
C A:ASP134 4.9 22.6 1.0
O A:ASP130 5.0 23.7 1.0

Calcium binding site 5 out of 8 in 2r28

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Calcium binding site 5 out of 8 in the The Complex Structure of Calmodulin Bound to A Calcineurin Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1001

b:50.4
occ:1.00
OE2 B:GLU32 2.3 43.5 1.0
O B:THR27 2.4 45.7 1.0
OD2 B:ASP21 2.6 48.3 1.0
OD1 B:ASP25 2.9 58.5 1.0
OD2 B:ASP25 3.0 55.3 1.0
CD B:GLU32 3.1 44.0 1.0
CG B:ASP25 3.2 55.1 1.0
OE1 B:GLU32 3.2 43.1 1.0
OD1 B:ASP23 3.3 55.9 1.0
CG B:ASP21 3.5 46.9 1.0
C B:THR27 3.5 46.4 1.0
CG B:ASP23 4.1 54.5 1.0
N B:THR27 4.1 48.4 1.0
CB B:ASP21 4.2 46.4 1.0
OD2 B:ASP23 4.2 56.0 1.0
CA B:ASP21 4.3 46.7 1.0
OD1 B:ASP21 4.3 41.6 1.0
CA B:THR27 4.4 47.2 1.0
N B:ILE28 4.5 45.2 1.0
CG B:GLU32 4.5 44.2 1.0
CB B:ASP25 4.5 53.2 1.0
N B:ASP25 4.5 52.8 1.0
N B:GLY26 4.6 51.7 1.0
CA B:ILE28 4.7 43.6 1.0
OG1 B:THR27 4.7 47.4 1.0
C B:ASP21 4.9 47.7 1.0
CA B:ASP25 4.9 53.0 1.0

Calcium binding site 6 out of 8 in 2r28

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Calcium binding site 6 out of 8 in the The Complex Structure of Calmodulin Bound to A Calcineurin Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1002

b:42.6
occ:1.00
OD2 B:ASP57 2.0 43.5 1.0
OE2 B:GLU68 2.3 34.3 1.0
O B:THR63 2.4 42.6 1.0
OD1 B:ASN61 2.5 41.0 1.0
OE1 B:GLU68 2.6 37.3 1.0
OD1 B:ASP59 2.6 53.7 1.0
CD B:GLU68 2.8 34.2 1.0
CG B:ASP57 3.2 43.3 1.0
CG B:ASP59 3.3 51.8 1.0
OD2 B:ASP59 3.4 53.2 1.0
C B:THR63 3.5 42.2 1.0
CG B:ASN61 3.6 44.9 1.0
OD1 B:ASP57 4.0 47.5 1.0
ND2 B:ASN61 4.1 42.1 1.0
CB B:ASP57 4.2 43.4 1.0
O B:HOH1087 4.2 50.9 1.0
CA B:ASP57 4.2 43.3 1.0
N B:THR63 4.2 43.3 1.0
CG B:GLU68 4.3 33.7 1.0
N B:ILE64 4.4 41.8 1.0
CA B:ILE64 4.4 41.6 1.0
OG1 B:THR63 4.4 41.8 1.0
N B:ASP65 4.4 40.0 1.0
CA B:THR63 4.5 42.8 1.0
N B:ASN61 4.7 46.1 1.0
CB B:ASP59 4.7 48.9 1.0
C B:ASP57 4.8 43.6 1.0
N B:ASP59 4.8 48.5 1.0
OD1 B:ASP65 4.8 42.8 1.0
C B:ILE64 4.8 41.0 1.0
CB B:ASN61 4.9 45.0 1.0
CG B:ASP65 4.9 40.4 1.0
N B:GLY62 5.0 45.8 1.0
CB B:GLU68 5.0 32.5 1.0

Calcium binding site 7 out of 8 in 2r28

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Calcium binding site 7 out of 8 in the The Complex Structure of Calmodulin Bound to A Calcineurin Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1003

b:24.9
occ:1.00
O B:TYR100 2.2 24.2 1.0
OD2 B:ASP94 2.3 27.7 1.0
O B:HOH1034 2.4 23.8 1.0
OE2 B:GLU105 2.4 27.2 1.0
ND2 B:ASN98 2.5 24.1 1.0
OD1 B:ASP96 2.5 33.3 1.0
OE1 B:GLU105 2.5 29.2 1.0
CD B:GLU105 2.8 29.4 1.0
CG B:ASP96 3.4 34.3 1.0
C B:TYR100 3.5 24.8 1.0
CG B:ASP94 3.5 27.1 1.0
CG B:ASN98 3.5 24.9 1.0
OD2 B:ASP96 3.9 34.3 1.0
OD1 B:ASN98 4.1 26.2 1.0
N B:TYR100 4.1 24.8 1.0
CA B:ASP94 4.2 27.4 1.0
CG B:GLU105 4.3 29.5 1.0
N B:ASN98 4.3 27.9 1.0
CB B:ASP94 4.3 25.8 1.0
CA B:TYR100 4.3 24.1 1.0
OD1 B:ASP94 4.3 26.2 1.0
O B:HOH1010 4.4 22.8 1.0
N B:ILE101 4.4 22.8 1.0
C B:ASP94 4.4 28.9 1.0
N B:ASP96 4.4 32.1 1.0
CA B:ILE101 4.5 21.1 1.0
CB B:ASP96 4.5 32.8 1.0
CB B:ASN98 4.6 27.3 1.0
N B:SER102 4.6 23.7 1.0
N B:GLY97 4.6 31.7 1.0
N B:LYS95 4.7 32.1 1.0
CB B:TYR100 4.7 24.8 1.0
O B:HOH1013 4.8 36.0 1.0
CA B:ASP96 4.8 33.3 1.0
CA B:ASN98 4.8 27.4 1.0
N B:GLY99 4.8 25.8 1.0
C B:ASP96 4.8 32.2 1.0
O B:ASP94 4.9 29.0 1.0

Calcium binding site 8 out of 8 in 2r28

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Calcium binding site 8 out of 8 in the The Complex Structure of Calmodulin Bound to A Calcineurin Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of The Complex Structure of Calmodulin Bound to A Calcineurin Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1004

b:22.0
occ:1.00
OD1 B:ASP130 2.3 24.8 1.0
O B:GLN136 2.3 24.6 1.0
OD1 B:ASP134 2.3 22.4 1.0
OE2 B:GLU141 2.4 24.0 1.0
O B:HOH1035 2.5 23.6 1.0
OE1 B:GLU141 2.6 23.6 1.0
OD1 B:ASP132 2.6 28.5 1.0
CD B:GLU141 2.8 22.8 1.0
CG B:ASP134 3.3 24.2 1.0
CG B:ASP132 3.3 30.8 1.0
CG B:ASP130 3.4 27.5 1.0
C B:GLN136 3.5 23.1 1.0
OD2 B:ASP132 3.6 32.3 1.0
OD2 B:ASP134 3.8 27.4 1.0
N B:ASP134 4.0 26.1 1.0
CA B:ASP130 4.1 29.0 1.0
CB B:ASP130 4.2 28.5 1.0
N B:ASP132 4.3 29.1 1.0
N B:GLN136 4.3 23.6 1.0
OD2 B:ASP130 4.3 24.2 1.0
CG B:GLU141 4.3 21.0 1.0
N B:ASN138 4.4 20.6 1.0
CB B:ASP134 4.4 23.9 1.0
CA B:VAL137 4.4 20.6 1.0
N B:VAL137 4.4 23.3 1.0
C B:ASP130 4.4 29.8 1.0
CA B:GLN136 4.5 23.2 1.0
N B:GLY133 4.5 28.9 1.0
CA B:ASP134 4.6 24.0 1.0
CB B:ASP132 4.6 29.8 1.0
N B:GLY135 4.7 23.0 1.0
N B:ILE131 4.7 29.9 1.0
CA B:ASP132 4.7 30.0 1.0
C B:ASP132 4.8 28.9 1.0
C B:ASP134 4.8 23.8 1.0
C B:VAL137 4.9 21.1 1.0
CG B:ASN138 4.9 23.5 1.0
O B:ASP130 4.9 30.3 1.0
ND2 B:ASN138 5.0 26.1 1.0

Reference:

Q.Ye, H.Wang, J.Zheng, Q.Wei, Z.Jia. The Complex Structure of Calmodulin Bound to A Calcineurin Peptide. Proteins V. 73 19 2008.
ISSN: ISSN 0887-3585
PubMed: 18384083
DOI: 10.1002/PROT.22032
Page generated: Tue Jul 8 08:05:18 2025

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