Atomistry » Calcium » PDB 4aqi-4ayp » 4aqr
Atomistry »
  Calcium »
    PDB 4aqi-4ayp »
      4aqr »

Calcium in PDB 4aqr: Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase

Enzymatic activity of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase

All present enzymatic activity of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase:
3.6.3.8;

Protein crystallography data

The structure of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase, PDB code: 4aqr was solved by H.Tidow, L.R.Poulsen, A.Andreeva, K.L.Hein, M.G.Palmgren, P.Nissen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.142 / 1.95
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 71.251, 71.251, 163.279, 90.00, 90.00, 90.00
R / Rfree (%) 21.56 / 24.67

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase (pdb code 4aqr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase, PDB code: 4aqr:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 4aqr

Go back to Calcium Binding Sites List in 4aqr
Calcium binding site 1 out of 8 in the Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca150

b:41.3
occ:0.72
 O A:CYS27 2.3 57.5 1.0
O A:HOH2017 2.3 58.2 1.0
OD1 A:ASP21 2.3 57.8 1.0
OD1 A:ASP23 2.4 53.7 1.0
OD1 A:ASP25 2.4 49.1 1.0
OE1 A:GLU32 2.5 52.7 1.0
OE2 A:GLU32 2.5 50.8 1.0
CD A:GLU32 2.8 57.9 1.0
CG A:ASP23 3.3 52.0 1.0
CG A:ASP25 3.4 52.8 1.0
C A:CYS27 3.4 50.2 1.0
CG A:ASP21 3.5 53.0 1.0
OD2 A:ASP23 3.6 58.7 1.0
OD2 A:ASP25 3.8 59.6 1.0
N A:CYS27 4.2 46.7 1.0
CA A:ASP21 4.3 44.5 1.0
CA A:CYS27 4.3 50.0 1.0
N A:ASP25 4.3 53.8 1.0
CG A:GLU32 4.3 54.0 1.0
OD2 A:ASP21 4.3 50.3 1.0
CB A:ASP21 4.4 43.7 1.0
N A:ILE28 4.4 41.5 1.0
N A:ASP23 4.4 49.3 1.0
CA A:ILE28 4.5 42.7 1.0
C A:ASP21 4.5 57.0 1.0
CB A:ASP23 4.6 53.5 1.0
CB A:ASP25 4.6 52.4 1.0
CG2 A:THR29 4.7 50.6 1.0
N A:GLY24 4.7 54.5 1.0
CB A:CYS27 4.7 58.8 1.0
N A:LYS22 4.8 54.0 1.0
N A:THR29 4.8 44.2 1.0
CA A:ASP23 4.8 47.4 1.0
CA A:ASP25 4.9 54.4 1.0
C A:ASP23 4.9 45.0 1.0
O A:ASP21 4.9 52.8 1.0
O A:HOH2018 5.0 60.7 1.0
N A:GLY26 5.0 51.1 1.0
O A:HOH2022 5.0 50.2 1.0

Calcium binding site 2 out of 8 in 4aqr

Go back to Calcium Binding Sites List in 4aqr
Calcium binding site 2 out of 8 in the Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca151

b:49.1
occ:0.86
 OD1 A:ASP57 2.2 54.9 1.0
OD1 A:ASN61 2.3 63.9 1.0
O A:THR63 2.4 56.7 1.0
OE2 A:GLU68 2.5 67.7 1.0
O A:HOH2050 2.5 59.7 1.0
OD1 A:ASP59 2.5 57.9 1.0
OE1 A:GLU68 2.5 53.9 1.0
CD A:GLU68 2.9 55.7 1.0
CG A:ASN61 3.2 67.8 1.0
CG A:ASP59 3.4 72.0 1.0
CG A:ASP57 3.4 55.2 1.0
C A:THR63 3.6 55.5 1.0
OD2 A:ASP59 3.7 69.7 1.0
ND2 A:ASN61 3.7 59.5 1.0
N A:ASN61 4.1 72.8 1.0
OD2 A:ASP57 4.2 60.0 1.0
CB A:ASN61 4.3 78.8 1.0
N A:THR63 4.3 63.6 1.0
CG A:GLU68 4.4 45.9 1.0
N A:ASP59 4.4 58.7 1.0
CB A:ASP57 4.4 52.8 1.0
CA A:ASP57 4.4 50.3 1.0
CA A:ILE64 4.5 46.5 1.0
N A:ASP65 4.5 56.5 1.0
N A:ILE64 4.5 59.5 1.0
CB A:ASP59 4.6 72.8 1.0
CA A:THR63 4.6 51.4 1.0
C A:ASP57 4.6 65.5 1.0
CA A:ASN61 4.6 70.4 1.0
N A:GLY60 4.6 61.3 1.0
CG A:ASP65 4.7 65.9 1.0
OD2 A:ASP65 4.7 71.0 1.0
N A:ALA58 4.7 54.3 1.0
OG1 A:THR63 4.7 55.5 1.0
N A:GLY62 4.8 78.0 1.0
OD1 A:ASP65 4.8 61.8 1.0
CA A:ASP59 4.8 70.1 1.0
C A:ASN61 4.9 70.3 1.0
C A:ASP59 4.9 71.0 1.0
C A:ILE64 4.9 57.5 1.0

Calcium binding site 3 out of 8 in 4aqr

Go back to Calcium Binding Sites List in 4aqr
Calcium binding site 3 out of 8 in the Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca152

b:41.0
occ:0.65
 O A:PHE100 2.3 52.6 1.0
OD1 A:ASP94 2.3 50.1 1.0
OD1 A:ASP96 2.3 57.0 1.0
OD1 A:ASN98 2.3 56.0 1.0
OE1 A:GLU105 2.5 53.6 1.0
OE2 A:GLU105 2.5 59.4 1.0
O A:HOH2064 2.5 49.1 1.0
CD A:GLU105 2.8 56.8 1.0
CG A:ASP96 3.2 65.3 1.0
CG A:ASN98 3.3 57.7 1.0
CG A:ASP94 3.4 59.1 1.0
C A:PHE100 3.5 56.1 1.0
OD2 A:ASP96 3.5 68.4 1.0
ND2 A:ASN98 3.9 53.6 1.0
N A:PHE100 4.1 57.6 1.0
CA A:ASP94 4.2 49.2 1.0
N A:ASN98 4.2 50.6 1.0
CB A:ASP94 4.3 48.9 1.0
OD2 A:ASP94 4.3 61.6 1.0
N A:ASP96 4.3 54.1 1.0
CG A:GLU105 4.3 55.8 1.0
CA A:PHE100 4.3 57.0 1.0
C A:ASP94 4.4 51.9 1.0
N A:ILE101 4.4 54.0 1.0
CB A:ASN98 4.5 54.8 1.0
CB A:ASP96 4.5 53.5 1.0
CA A:ILE101 4.5 48.6 1.0
N A:LYS95 4.6 54.5 1.0
N A:SER102 4.6 54.7 1.0
N A:GLN97 4.7 57.3 1.0
CA A:ASP96 4.7 57.5 1.0
CA A:ASN98 4.7 54.1 1.0
CB A:PHE100 4.8 46.3 1.0
N A:GLY99 4.8 51.5 1.0
C A:ASP96 4.9 57.3 1.0
O A:ASP94 4.9 55.3 1.0
C A:ASN98 4.9 63.5 1.0
C A:ILE101 5.0 49.3 1.0

Calcium binding site 4 out of 8 in 4aqr

Go back to Calcium Binding Sites List in 4aqr
Calcium binding site 4 out of 8 in the Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca153

b:46.9
occ:0.65
 OD1 A:ASP130 2.3 61.9 1.0
OD1 A:ASP134 2.3 68.4 1.0
O A:GLN136 2.4 62.1 1.0
OE2 A:GLU141 2.4 70.1 1.0
OD1 A:ASP132 2.4 76.1 1.0
OE1 A:GLU141 2.5 54.7 1.0
O A:HOH2087 2.5 69.4 1.0
CD A:GLU141 2.8 65.9 1.0
CG A:ASP134 3.2 66.6 1.0
CG A:ASP132 3.2 85.2 1.0
CG A:ASP130 3.4 72.4 1.0
C A:GLN136 3.5 50.1 1.0
OD2 A:ASP132 3.6 76.3 1.0
OD2 A:ASP134 3.6 67.6 1.0
N A:ASP134 4.2 85.7 1.0
N A:GLN136 4.2 72.4 1.0
N A:ASP132 4.2 64.4 1.0
OD2 A:ASP130 4.2 78.0 1.0
CG A:GLU141 4.3 67.5 1.0
CB A:ASP130 4.4 61.3 1.0
CB A:ASP134 4.4 76.5 1.0
CA A:GLN136 4.4 57.5 1.0
CA A:ASP130 4.4 58.8 1.0
CA A:ILE137 4.4 57.5 1.0
N A:ILE137 4.4 60.5 1.0
CB A:ASP132 4.5 89.7 1.0
N A:GLY133 4.5 81.8 1.0
N A:ASN138 4.5 55.3 1.0
N A:VAL131 4.6 74.8 1.0
CA A:ASP132 4.6 81.9 1.0
CA A:ASP134 4.7 77.1 1.0
C A:ASP132 4.7 89.8 1.0
N A:GLY135 4.8 79.1 1.0
CB A:GLN136 4.8 75.6 1.0
C A:ASP130 4.8 85.9 1.0
C A:ILE137 5.0 52.0 1.0
CG A:ASN138 5.0 67.5 1.0
CD1 A:ILE137 5.0 69.9 1.0
C A:ASP134 5.0 68.0 1.0

Calcium binding site 5 out of 8 in 4aqr

Go back to Calcium Binding Sites List in 4aqr
Calcium binding site 5 out of 8 in the Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca150

b:39.8
occ:0.70
 OD1 B:ASP21 2.3 51.0 1.0
O B:HOH2020 2.3 46.6 1.0
OD1 B:ASP25 2.3 52.4 1.0
O B:CYS27 2.3 49.8 1.0
OD1 B:ASP23 2.4 53.2 1.0
OE1 B:GLU32 2.4 46.7 1.0
OE2 B:GLU32 2.5 50.5 1.0
CD B:GLU32 2.8 56.9 1.0
CG B:ASP23 3.3 60.4 1.0
CG B:ASP25 3.3 57.7 1.0
C B:CYS27 3.4 51.7 1.0
CG B:ASP21 3.5 50.5 1.0
OD2 B:ASP23 3.6 52.9 1.0
OD2 B:ASP25 3.8 60.1 1.0
N B:CYS27 4.1 48.8 1.0
N B:ASP25 4.3 51.1 1.0
CA B:CYS27 4.3 51.8 1.0
OD2 B:ASP21 4.3 49.9 1.0
CG B:GLU32 4.3 51.9 1.0
CA B:ASP21 4.3 45.4 1.0
N B:ILE28 4.4 44.3 1.0
CB B:ASP21 4.4 45.6 1.0
N B:ASP23 4.5 49.2 1.0
CA B:ILE28 4.5 38.6 1.0
C B:ASP21 4.5 54.0 1.0
CB B:ASP25 4.5 56.5 1.0
CB B:ASP23 4.6 61.4 1.0
N B:GLY24 4.7 48.1 1.0
CG2 B:THR29 4.7 52.4 1.0
N B:LYS22 4.7 48.5 1.0
CB B:CYS27 4.8 50.7 1.0
N B:THR29 4.8 49.7 1.0
O B:HOH2025 4.8 51.3 1.0
CA B:ASP25 4.8 44.2 1.0
N B:GLY26 4.8 47.6 1.0
CA B:ASP23 4.9 55.5 1.0
O B:ASP21 4.9 50.3 1.0
C B:ASP23 4.9 49.6 1.0

Calcium binding site 6 out of 8 in 4aqr

Go back to Calcium Binding Sites List in 4aqr
Calcium binding site 6 out of 8 in the Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca151

b:51.3
occ:0.81
 OD1 B:ASP57 2.2 53.0 1.0
OD1 B:ASN61 2.4 57.1 1.0
OE2 B:GLU68 2.4 60.3 1.0
O B:THR63 2.4 61.3 1.0
O B:HOH2050 2.5 61.7 1.0
OE1 B:GLU68 2.5 50.7 1.0
OD1 B:ASP59 2.5 59.0 1.0
O B:HOH2051 2.8 51.8 1.0
CD B:GLU68 2.8 52.9 1.0
CG B:ASP59 3.4 71.2 1.0
CG B:ASP57 3.4 54.5 1.0
CG B:ASN61 3.4 68.2 1.0
C B:THR63 3.6 62.4 1.0
OD2 B:ASP59 3.8 75.0 1.0
ND2 B:ASN61 3.9 63.0 1.0
CA B:ASP57 4.1 50.1 1.0
CB B:ASP57 4.2 51.8 1.0
OD2 B:ASP57 4.2 62.9 1.0
CG B:GLU68 4.3 51.8 1.0
N B:ASP59 4.3 65.2 1.0
N B:ASN61 4.4 74.2 1.0
CA B:ILE64 4.4 43.4 1.0
N B:THR63 4.4 59.1 1.0
N B:ASP65 4.4 47.6 1.0
C B:ASP57 4.4 69.6 1.0
N B:ILE64 4.5 50.4 1.0
CB B:ASP59 4.5 74.0 1.0
N B:ALA58 4.6 54.4 1.0
CA B:THR63 4.6 59.0 1.0
CB B:ASN61 4.6 69.7 1.0
OG1 B:THR63 4.6 55.9 1.0
OD2 B:ASP65 4.7 66.3 1.0
N B:GLY60 4.8 72.2 1.0
CA B:ASP59 4.8 63.8 1.0
CG B:ASP65 4.8 57.1 1.0
C B:ILE64 4.8 45.2 1.0
CA B:ASN61 4.9 62.3 1.0
O B:HOH2049 4.9 55.4 1.0
N B:GLY62 4.9 70.5 1.0
C B:ASP59 4.9 64.7 1.0
O B:ASP57 4.9 72.9 1.0

Calcium binding site 7 out of 8 in 4aqr

Go back to Calcium Binding Sites List in 4aqr
Calcium binding site 7 out of 8 in the Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca152

b:67.8
occ:0.71
 OD1 B:ASP130 2.3 0.1 1.0
OE2 B:GLU141 2.4 98.8 1.0
OD1 B:ASP134 2.4 0.6 1.0
O B:GLN136 2.4 0.8 1.0
OD1 B:ASP132 2.4 0.5 1.0
OE1 B:GLU141 2.5 94.0 1.0
O B:HOH2076 2.5 70.0 1.0
CD B:GLU141 2.7 95.1 1.0
CG B:ASP134 3.2 0.3 1.0
CG B:ASP132 3.3 0.4 1.0
OD2 B:ASP132 3.4 0.9 1.0
CG B:ASP130 3.5 0.8 1.0
C B:GLN136 3.5 0.6 1.0
OD2 B:ASP134 3.5 0.7 1.0
O B:HOH2074 4.1 69.3 1.0
OD2 B:ASP130 4.2 0.6 1.0
CG B:GLU141 4.2 92.4 1.0
N B:ASP134 4.3 0.6 1.0
N B:GLN136 4.3 0.0 1.0
N B:ILE137 4.3 0.3 1.0
N B:ASN138 4.3 93.2 1.0
CA B:ILE137 4.3 97.5 1.0
CB B:ASP134 4.3 0.2 1.0
CA B:GLN136 4.4 0.8 1.0
CB B:ASP130 4.5 0.6 1.0
CA B:ASP130 4.6 0.7 1.0
N B:ASP132 4.6 0.6 1.0
CG B:ASN138 4.6 93.7 1.0
N B:GLY133 4.6 0.4 1.0
ND2 B:ASN138 4.7 97.4 1.0
CB B:ASP132 4.7 0.1 1.0
OD1 B:ASN138 4.7 91.8 1.0
CA B:ASP134 4.7 0.8 1.0
N B:VAL131 4.7 0.0 1.0
C B:ILE137 4.8 95.6 1.0
CB B:GLN136 4.9 0.6 1.0
C B:ASP130 4.9 0.6 1.0

Calcium binding site 8 out of 8 in 4aqr

Go back to Calcium Binding Sites List in 4aqr
Calcium binding site 8 out of 8 in the Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of A Calmodulin in Complex with the Regulatory Domain of A Plasma-Membrane CA2+-Atpase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca153

b:52.0
occ:0.55
 O B:PHE100 2.3 77.1 1.0
OE2 B:GLU105 2.3 74.3 1.0
OD1 B:ASN98 2.4 78.8 1.0
OD1 B:ASP94 2.4 67.1 1.0
CB B:ASP96 2.5 0.7 1.0
OE1 B:GLU105 2.5 71.8 1.0
OD2 B:ASP96 2.6 0.5 1.0
CD B:GLU105 2.7 72.4 1.0
O B:HOH2063 2.9 75.6 1.0
CG B:ASP96 2.9 0.7 1.0
CG B:ASN98 3.3 81.0 1.0
C B:PHE100 3.5 73.5 1.0
CG B:ASP94 3.5 66.5 1.0
CA B:ASP96 3.6 78.0 1.0
N B:ASP96 3.7 75.6 1.0
ND2 B:ASN98 4.0 81.8 1.0
OD1 B:ASP96 4.1 0.5 1.0
CG B:GLU105 4.2 71.0 1.0
N B:PHE100 4.2 80.0 1.0
OD2 B:ASP94 4.3 67.9 1.0
CA B:PHE100 4.3 75.8 1.0
CB B:ASN98 4.3 84.3 1.0
CA B:ASP94 4.4 70.2 1.0
CB B:ASP94 4.4 64.0 1.0
N B:ILE101 4.4 71.9 1.0
N B:ASN98 4.4 84.1 1.0
C B:ASP96 4.4 79.5 1.0
N B:SER102 4.5 63.9 1.0
CA B:ILE101 4.5 70.3 1.0
N B:GLN97 4.5 78.5 1.0
C B:ASP94 4.6 71.9 1.0
N B:LYS95 4.7 83.1 1.0
CB B:PHE100 4.8 70.6 1.0
NE2 B:GLN136 4.8 0.9 1.0
CA B:ASN98 4.8 86.9 1.0
C B:LYS95 4.9 0.5 1.0
C B:ILE101 5.0 70.1 1.0

Reference:

H.Tidow, L.R.Poulsen, A.Andreeva, M.Knudsen, K.L.Hein, C.Wiuf, M.G.Palmgren, P.Nissen. A Bimodular Mechanism of Calcium Control in Eukaryotes Nature V. 491 468 2012.
ISSN: ISSN 0028-0836
PubMed: 23086147
DOI: 10.1038/NATURE11539
Page generated: Sat Dec 12 04:39:28 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy