Calcium in PDB 1qiw: Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)
Protein crystallography data
The structure of Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), PDB code: 1qiw
was solved by
V.Harmat,
Z.S.Bocskei,
B.G.Vertessy,
J.Ovadi,
G.Naray-Szabo,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
54.23 /
2.30
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
41.960,
56.200,
35.270,
99.52,
114.47,
96.86
|
R / Rfree (%)
|
23.2 /
31.7
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)
(pdb code 1qiw). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), PDB code: 1qiw:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 1qiw
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Calcium Binding Sites List in 1qiw
Calcium binding site 1 out
of 8 in the Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca149
b:30.9
occ:1.00
|
OD1
|
A:ASP22
|
2.3
|
32.5
|
1.0
|
OD1
|
A:ASP20
|
2.3
|
27.6
|
1.0
|
OE2
|
A:GLU31
|
2.3
|
13.2
|
1.0
|
O
|
A:THR26
|
2.3
|
19.7
|
1.0
|
OE1
|
A:GLU31
|
2.3
|
13.2
|
1.0
|
OD1
|
A:ASP24
|
2.3
|
53.7
|
1.0
|
CD
|
A:GLU31
|
2.6
|
13.2
|
1.0
|
CG
|
A:ASP22
|
2.9
|
32.5
|
1.0
|
OD2
|
A:ASP22
|
2.9
|
32.5
|
1.0
|
CG
|
A:ASP24
|
3.4
|
53.7
|
1.0
|
CG
|
A:ASP20
|
3.4
|
27.6
|
1.0
|
C
|
A:THR26
|
3.5
|
19.7
|
1.0
|
OD2
|
A:ASP24
|
3.8
|
53.7
|
1.0
|
CA
|
A:ASP20
|
4.1
|
17.1
|
1.0
|
CG
|
A:GLU31
|
4.1
|
13.2
|
1.0
|
CB
|
A:ASP20
|
4.2
|
17.1
|
1.0
|
N
|
A:THR26
|
4.2
|
19.7
|
1.0
|
OD2
|
A:ASP20
|
4.3
|
27.6
|
1.0
|
OG1
|
A:THR26
|
4.3
|
34.5
|
1.0
|
N
|
A:ASP24
|
4.3
|
39.1
|
1.0
|
CB
|
A:ASP22
|
4.3
|
39.2
|
1.0
|
N
|
A:ASP22
|
4.3
|
39.2
|
1.0
|
N
|
A:GLY23
|
4.4
|
36.6
|
1.0
|
CA
|
A:THR26
|
4.5
|
19.7
|
1.0
|
C
|
A:ASP20
|
4.5
|
17.1
|
1.0
|
N
|
A:ILE27
|
4.5
|
11.0
|
1.0
|
N
|
A:LYS21
|
4.5
|
35.1
|
1.0
|
CA
|
A:ILE27
|
4.5
|
11.0
|
1.0
|
CB
|
A:ASP24
|
4.6
|
39.1
|
1.0
|
N
|
A:GLY25
|
4.8
|
10.8
|
1.0
|
CA
|
A:ASP22
|
4.8
|
39.2
|
1.0
|
N
|
A:THR28
|
4.9
|
22.5
|
1.0
|
CA
|
A:ASP24
|
4.9
|
39.1
|
1.0
|
CG2
|
A:THR28
|
5.0
|
19.8
|
1.0
|
CB
|
A:THR26
|
5.0
|
19.7
|
1.0
|
|
Calcium binding site 2 out
of 8 in 1qiw
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Calcium Binding Sites List in 1qiw
Calcium binding site 2 out
of 8 in the Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca150
b:18.5
occ:1.00
|
OD1
|
A:ASN60
|
2.3
|
28.8
|
1.0
|
OD1
|
A:ASP58
|
2.3
|
28.2
|
1.0
|
OD1
|
A:ASP56
|
2.3
|
16.7
|
1.0
|
OE2
|
A:GLU67
|
2.3
|
26.2
|
1.0
|
O
|
A:THR62
|
2.3
|
28.9
|
1.0
|
OE1
|
A:GLU67
|
2.3
|
26.2
|
1.0
|
CD
|
A:GLU67
|
2.6
|
26.2
|
1.0
|
CG
|
A:ASP58
|
3.3
|
28.2
|
1.0
|
CG
|
A:ASN60
|
3.4
|
28.8
|
1.0
|
CG
|
A:ASP56
|
3.5
|
16.7
|
1.0
|
C
|
A:THR62
|
3.5
|
28.9
|
1.0
|
OD2
|
A:ASP58
|
3.7
|
28.2
|
1.0
|
OD2
|
A:ASP64
|
3.8
|
26.9
|
1.0
|
ND2
|
A:ASN60
|
3.9
|
28.8
|
1.0
|
CA
|
A:ASP56
|
4.1
|
20.2
|
1.0
|
CG
|
A:GLU67
|
4.2
|
26.2
|
1.0
|
N
|
A:ASN60
|
4.2
|
36.8
|
1.0
|
N
|
A:ASP58
|
4.2
|
23.2
|
1.0
|
N
|
A:THR62
|
4.3
|
28.9
|
1.0
|
OD2
|
A:ASP56
|
4.3
|
16.7
|
1.0
|
CB
|
A:ASP56
|
4.4
|
20.2
|
1.0
|
N
|
A:ILE63
|
4.4
|
12.9
|
1.0
|
CA
|
A:ILE63
|
4.4
|
12.9
|
1.0
|
C
|
A:ASP56
|
4.4
|
20.2
|
1.0
|
N
|
A:GLY59
|
4.4
|
24.0
|
1.0
|
CA
|
A:THR62
|
4.5
|
28.9
|
1.0
|
CB
|
A:ASP58
|
4.5
|
23.2
|
1.0
|
OG1
|
A:THR62
|
4.5
|
37.7
|
1.0
|
N
|
A:ALA57
|
4.6
|
21.3
|
1.0
|
CB
|
A:ASN60
|
4.6
|
36.8
|
1.0
|
CA
|
A:ASP58
|
4.7
|
23.2
|
1.0
|
CG
|
A:ASP64
|
4.8
|
26.9
|
1.0
|
C
|
A:ASP58
|
4.8
|
23.2
|
1.0
|
CD1
|
A:ILE63
|
4.9
|
6.2
|
1.0
|
CA
|
A:ASN60
|
4.9
|
36.8
|
1.0
|
N
|
A:ASP64
|
4.9
|
21.0
|
1.0
|
|
Calcium binding site 3 out
of 8 in 1qiw
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Calcium Binding Sites List in 1qiw
Calcium binding site 3 out
of 8 in the Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca151
b:27.2
occ:1.00
|
OD1
|
A:ASN97
|
2.3
|
57.4
|
1.0
|
OD1
|
A:ASP95
|
2.3
|
36.6
|
1.0
|
O
|
A:TYR99
|
2.3
|
28.6
|
1.0
|
OD1
|
A:ASP93
|
2.3
|
27.0
|
1.0
|
OE2
|
A:GLU104
|
2.3
|
23.6
|
1.0
|
OE1
|
A:GLU104
|
2.3
|
23.6
|
1.0
|
CD
|
A:GLU104
|
2.6
|
23.6
|
1.0
|
CG
|
A:ASP95
|
3.3
|
36.6
|
1.0
|
CG
|
A:ASN97
|
3.4
|
57.4
|
1.0
|
C
|
A:TYR99
|
3.5
|
28.6
|
1.0
|
CG
|
A:ASP93
|
3.5
|
27.0
|
1.0
|
OD2
|
A:ASP95
|
3.7
|
36.6
|
1.0
|
CG
|
A:GLU104
|
4.1
|
23.6
|
1.0
|
ND2
|
A:ASN97
|
4.2
|
57.4
|
1.0
|
CA
|
A:ASP93
|
4.2
|
34.7
|
1.0
|
CA
|
A:ILE100
|
4.3
|
36.6
|
1.0
|
N
|
A:ASP95
|
4.3
|
15.8
|
1.0
|
N
|
A:ILE100
|
4.3
|
36.6
|
1.0
|
OD2
|
A:ASP93
|
4.4
|
27.0
|
1.0
|
CB
|
A:ASN97
|
4.4
|
31.1
|
1.0
|
CB
|
A:ASP93
|
4.5
|
34.7
|
1.0
|
N
|
A:LYS94
|
4.5
|
37.3
|
1.0
|
N
|
A:SER101
|
4.5
|
20.8
|
1.0
|
N
|
A:TYR99
|
4.5
|
28.6
|
1.0
|
C
|
A:ASP93
|
4.5
|
34.7
|
1.0
|
CA
|
A:TYR99
|
4.5
|
28.6
|
1.0
|
CB
|
A:ASP95
|
4.6
|
15.8
|
1.0
|
N
|
A:ASN97
|
4.6
|
31.1
|
1.0
|
CA
|
A:ASP95
|
4.8
|
15.8
|
1.0
|
C
|
A:ILE100
|
4.9
|
36.6
|
1.0
|
C
|
A:ASP95
|
4.9
|
15.8
|
1.0
|
OG
|
A:SER101
|
5.0
|
21.9
|
1.0
|
|
Calcium binding site 4 out
of 8 in 1qiw
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Calcium Binding Sites List in 1qiw
Calcium binding site 4 out
of 8 in the Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca152
b:43.6
occ:1.00
|
OE2
|
A:GLU140
|
2.3
|
22.9
|
1.0
|
O
|
A:GLN135
|
2.3
|
28.8
|
1.0
|
OD1
|
A:ASP133
|
2.3
|
43.2
|
1.0
|
OD2
|
A:ASP131
|
2.3
|
65.8
|
1.0
|
OD1
|
A:ASP129
|
2.3
|
47.2
|
1.0
|
OE1
|
A:GLU140
|
2.3
|
22.9
|
1.0
|
CD
|
A:GLU140
|
2.6
|
22.9
|
1.0
|
CG
|
A:ASP131
|
2.8
|
65.8
|
1.0
|
CG
|
A:ASP133
|
2.8
|
43.2
|
1.0
|
OD1
|
A:ASP131
|
2.9
|
65.8
|
1.0
|
OD2
|
A:ASP133
|
3.0
|
43.2
|
1.0
|
CG
|
A:ASP129
|
3.3
|
47.2
|
1.0
|
C
|
A:GLN135
|
3.5
|
28.8
|
1.0
|
OD2
|
A:ASP129
|
3.9
|
47.2
|
1.0
|
N
|
A:ASP133
|
4.0
|
46.7
|
1.0
|
N
|
A:ASP131
|
4.0
|
53.0
|
1.0
|
N
|
A:GLN135
|
4.0
|
28.8
|
1.0
|
CB
|
A:ASP133
|
4.1
|
46.7
|
1.0
|
CB
|
A:ASP131
|
4.1
|
53.0
|
1.0
|
CG
|
A:GLU140
|
4.2
|
22.9
|
1.0
|
N
|
A:ILE130
|
4.2
|
53.5
|
1.0
|
ND2
|
A:ASN137
|
4.2
|
28.8
|
1.0
|
CA
|
A:ASP129
|
4.2
|
50.0
|
1.0
|
CB
|
A:ASP129
|
4.3
|
50.0
|
1.0
|
CA
|
A:GLN135
|
4.3
|
28.8
|
1.0
|
N
|
A:GLY132
|
4.4
|
21.4
|
1.0
|
N
|
A:VAL136
|
4.4
|
23.8
|
1.0
|
CA
|
A:VAL136
|
4.5
|
23.8
|
1.0
|
CA
|
A:ASP133
|
4.5
|
46.7
|
1.0
|
CA
|
A:ASP131
|
4.5
|
53.0
|
1.0
|
N
|
A:GLY134
|
4.5
|
27.2
|
1.0
|
N
|
A:ASN137
|
4.6
|
31.7
|
1.0
|
C
|
A:ASP131
|
4.6
|
53.0
|
1.0
|
C
|
A:ASP129
|
4.7
|
50.0
|
1.0
|
C
|
A:ASP133
|
4.8
|
46.7
|
1.0
|
CB
|
A:GLN135
|
4.9
|
28.8
|
1.0
|
C
|
A:GLY132
|
5.0
|
21.4
|
1.0
|
|
Calcium binding site 5 out
of 8 in 1qiw
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Calcium Binding Sites List in 1qiw
Calcium binding site 5 out
of 8 in the Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca149
b:27.9
occ:1.00
|
OD1
|
B:ASP22
|
2.2
|
51.0
|
1.0
|
OD1
|
B:ASP20
|
2.3
|
21.0
|
1.0
|
OE2
|
B:GLU31
|
2.3
|
15.5
|
1.0
|
O
|
B:THR26
|
2.3
|
25.2
|
1.0
|
OE1
|
B:GLU31
|
2.3
|
15.5
|
1.0
|
OD1
|
B:ASP24
|
2.3
|
32.0
|
1.0
|
CD
|
B:GLU31
|
2.6
|
15.5
|
1.0
|
CG
|
B:ASP22
|
2.9
|
51.0
|
1.0
|
OD2
|
B:ASP22
|
3.0
|
51.0
|
1.0
|
CG
|
B:ASP20
|
3.4
|
21.0
|
1.0
|
CG
|
B:ASP24
|
3.5
|
32.0
|
1.0
|
C
|
B:THR26
|
3.5
|
25.2
|
1.0
|
OD2
|
B:ASP24
|
3.9
|
32.0
|
1.0
|
CG
|
B:GLU31
|
4.1
|
15.5
|
1.0
|
OG1
|
B:THR26
|
4.2
|
27.7
|
1.0
|
OD2
|
B:ASP20
|
4.2
|
21.0
|
1.0
|
CA
|
B:ASP20
|
4.2
|
19.9
|
1.0
|
N
|
B:THR26
|
4.3
|
25.2
|
1.0
|
CB
|
B:ASP20
|
4.4
|
19.9
|
1.0
|
CB
|
B:ASP22
|
4.4
|
21.3
|
1.0
|
N
|
B:ASP24
|
4.4
|
11.0
|
1.0
|
N
|
B:ASP22
|
4.4
|
21.3
|
1.0
|
N
|
B:GLY23
|
4.4
|
16.8
|
1.0
|
N
|
B:ILE27
|
4.4
|
20.9
|
1.0
|
CA
|
B:ILE27
|
4.5
|
20.9
|
1.0
|
CA
|
B:THR26
|
4.5
|
25.2
|
1.0
|
N
|
B:LYS21
|
4.6
|
40.0
|
1.0
|
C
|
B:ASP20
|
4.6
|
19.9
|
1.0
|
CG2
|
B:THR28
|
4.7
|
23.8
|
1.0
|
CB
|
B:ASP24
|
4.7
|
11.0
|
1.0
|
CA
|
B:ASP22
|
4.8
|
21.3
|
1.0
|
N
|
B:THR28
|
4.8
|
21.9
|
1.0
|
N
|
B:GLY25
|
4.9
|
29.3
|
1.0
|
CB
|
B:THR26
|
5.0
|
25.2
|
1.0
|
CA
|
B:ASP24
|
5.0
|
11.0
|
1.0
|
|
Calcium binding site 6 out
of 8 in 1qiw
Go back to
Calcium Binding Sites List in 1qiw
Calcium binding site 6 out
of 8 in the Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca150
b:23.1
occ:1.00
|
OD1
|
B:ASP56
|
2.3
|
17.6
|
1.0
|
OD1
|
B:ASP58
|
2.3
|
20.4
|
1.0
|
O
|
B:THR62
|
2.3
|
28.6
|
1.0
|
OD1
|
B:ASN60
|
2.3
|
31.2
|
1.0
|
OE2
|
B:GLU67
|
2.3
|
23.4
|
1.0
|
OE1
|
B:GLU67
|
2.3
|
23.4
|
1.0
|
CD
|
B:GLU67
|
2.7
|
23.4
|
1.0
|
CG
|
B:ASP58
|
3.2
|
20.4
|
1.0
|
CG
|
B:ASN60
|
3.4
|
31.2
|
1.0
|
C
|
B:THR62
|
3.4
|
28.6
|
1.0
|
OD2
|
B:ASP58
|
3.5
|
20.4
|
1.0
|
CG
|
B:ASP56
|
3.5
|
17.6
|
1.0
|
ND2
|
B:ASN60
|
3.8
|
31.2
|
1.0
|
CG
|
B:GLU67
|
4.2
|
23.4
|
1.0
|
CA
|
B:ASP56
|
4.2
|
34.7
|
1.0
|
OD2
|
B:ASP56
|
4.2
|
17.6
|
1.0
|
N
|
B:ILE63
|
4.3
|
16.3
|
1.0
|
CA
|
B:ILE63
|
4.3
|
16.3
|
1.0
|
N
|
B:THR62
|
4.3
|
28.6
|
1.0
|
N
|
B:ASN60
|
4.3
|
28.9
|
1.0
|
N
|
B:ASP58
|
4.4
|
12.1
|
1.0
|
OG1
|
B:THR62
|
4.4
|
40.6
|
1.0
|
CB
|
B:ASP56
|
4.4
|
34.7
|
1.0
|
CA
|
B:THR62
|
4.4
|
28.6
|
1.0
|
N
|
B:ALA57
|
4.6
|
33.0
|
1.0
|
CB
|
B:ASP58
|
4.6
|
12.1
|
1.0
|
C
|
B:ASP56
|
4.6
|
34.7
|
1.0
|
CB
|
B:ASN60
|
4.6
|
28.9
|
1.0
|
N
|
B:ASP64
|
4.7
|
23.2
|
1.0
|
N
|
B:GLY59
|
4.7
|
31.2
|
1.0
|
C
|
B:ILE63
|
4.9
|
16.3
|
1.0
|
CA
|
B:ASP58
|
4.9
|
12.1
|
1.0
|
CA
|
B:ASN60
|
4.9
|
28.9
|
1.0
|
OD1
|
B:ASP64
|
4.9
|
25.4
|
1.0
|
C
|
B:ASP58
|
5.0
|
12.1
|
1.0
|
|
Calcium binding site 7 out
of 8 in 1qiw
Go back to
Calcium Binding Sites List in 1qiw
Calcium binding site 7 out
of 8 in the Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca151
b:50.7
occ:1.00
|
OD1
|
B:ASN97
|
2.2
|
58.9
|
1.0
|
OD1
|
B:ASP93
|
2.3
|
27.7
|
1.0
|
O
|
B:TYR99
|
2.3
|
29.4
|
1.0
|
OE2
|
B:GLU104
|
2.3
|
21.6
|
1.0
|
OE1
|
B:GLU104
|
2.3
|
21.6
|
1.0
|
OD1
|
B:ASP95
|
2.3
|
53.9
|
1.0
|
CD
|
B:GLU104
|
2.6
|
21.6
|
1.0
|
CG
|
B:ASN97
|
3.2
|
58.9
|
1.0
|
ND2
|
B:ASN97
|
3.3
|
58.9
|
1.0
|
CG
|
B:ASP95
|
3.4
|
53.9
|
1.0
|
CG
|
B:ASP93
|
3.5
|
27.7
|
1.0
|
C
|
B:TYR99
|
3.5
|
29.4
|
1.0
|
CA
|
B:ASP93
|
3.9
|
32.2
|
1.0
|
OD2
|
B:ASP95
|
3.9
|
53.9
|
1.0
|
CG
|
B:GLU104
|
4.0
|
21.6
|
1.0
|
C
|
B:ASP93
|
4.2
|
32.2
|
1.0
|
CB
|
B:ASP93
|
4.2
|
32.2
|
1.0
|
N
|
B:ASP95
|
4.2
|
33.6
|
1.0
|
CA
|
B:ILE100
|
4.2
|
20.2
|
1.0
|
N
|
B:ILE100
|
4.3
|
20.2
|
1.0
|
N
|
B:LYS94
|
4.3
|
64.8
|
1.0
|
OD2
|
B:ASP93
|
4.4
|
27.7
|
1.0
|
N
|
B:TYR99
|
4.5
|
29.4
|
1.0
|
CB
|
B:ASN97
|
4.5
|
33.5
|
1.0
|
N
|
B:SER101
|
4.5
|
28.5
|
1.0
|
CA
|
B:TYR99
|
4.5
|
29.4
|
1.0
|
N
|
B:ASN97
|
4.6
|
33.5
|
1.0
|
CB
|
B:ASP95
|
4.7
|
33.6
|
1.0
|
CA
|
B:ASP95
|
4.8
|
33.6
|
1.0
|
O
|
B:ASP93
|
4.8
|
32.2
|
1.0
|
C
|
B:ASP95
|
4.8
|
33.6
|
1.0
|
C
|
B:ILE100
|
4.8
|
20.2
|
1.0
|
CB
|
B:GLU104
|
5.0
|
18.9
|
1.0
|
|
Calcium binding site 8 out
of 8 in 1qiw
Go back to
Calcium Binding Sites List in 1qiw
Calcium binding site 8 out
of 8 in the Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Calmodulin Complexed with N-(3,3,-Diphenylpropyl)-N'-[1-R-(3,4-Bis- Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca152
b:44.7
occ:1.00
|
OE2
|
B:GLU140
|
2.3
|
22.4
|
1.0
|
OD1
|
B:ASP133
|
2.3
|
31.2
|
1.0
|
OD1
|
B:ASP129
|
2.3
|
50.6
|
1.0
|
O
|
B:GLN135
|
2.3
|
45.3
|
1.0
|
OE1
|
B:GLU140
|
2.3
|
22.4
|
1.0
|
OD1
|
B:ASP131
|
2.3
|
44.1
|
1.0
|
CD
|
B:GLU140
|
2.6
|
22.4
|
1.0
|
CG
|
B:ASP133
|
2.7
|
31.2
|
1.0
|
OD2
|
B:ASP133
|
2.7
|
31.2
|
1.0
|
CG
|
B:ASP131
|
3.0
|
44.1
|
1.0
|
OD2
|
B:ASP131
|
3.1
|
44.1
|
1.0
|
CG
|
B:ASP129
|
3.4
|
50.6
|
1.0
|
C
|
B:GLN135
|
3.5
|
45.3
|
1.0
|
ND2
|
B:ASN137
|
3.9
|
55.1
|
1.0
|
OD2
|
B:ASP129
|
4.0
|
50.6
|
1.0
|
CB
|
B:ASP133
|
4.0
|
50.5
|
1.0
|
CG
|
B:GLU140
|
4.1
|
22.4
|
1.0
|
N
|
B:ASP133
|
4.1
|
50.5
|
1.0
|
N
|
B:ASP131
|
4.1
|
40.7
|
1.0
|
N
|
B:GLN135
|
4.2
|
45.3
|
1.0
|
N
|
B:ILE130
|
4.2
|
42.0
|
1.0
|
CA
|
B:ASP129
|
4.3
|
49.2
|
1.0
|
CB
|
B:ASP131
|
4.3
|
40.7
|
1.0
|
CB
|
B:ASP129
|
4.4
|
49.2
|
1.0
|
CA
|
B:GLN135
|
4.4
|
45.3
|
1.0
|
N
|
B:VAL136
|
4.4
|
40.9
|
1.0
|
CA
|
B:VAL136
|
4.4
|
40.9
|
1.0
|
N
|
B:ASN137
|
4.5
|
34.3
|
1.0
|
N
|
B:GLY132
|
4.5
|
28.9
|
1.0
|
CA
|
B:ASP133
|
4.5
|
50.5
|
1.0
|
CA
|
B:ASP131
|
4.6
|
40.7
|
1.0
|
N
|
B:GLY134
|
4.7
|
46.1
|
1.0
|
C
|
B:ASP131
|
4.7
|
40.7
|
1.0
|
C
|
B:ASP129
|
4.7
|
49.2
|
1.0
|
CG
|
B:ASN137
|
4.8
|
55.1
|
1.0
|
C
|
B:ASP133
|
4.9
|
50.5
|
1.0
|
CB
|
B:GLN135
|
4.9
|
45.3
|
1.0
|
CE1
|
B:TYR99
|
5.0
|
56.0
|
1.0
|
CB
|
B:GLU140
|
5.0
|
44.0
|
1.0
|
|
Reference:
V.Harmat,
Z.S.Bocskei,
G.Naray-Szabo,
I.Bata,
A.S.Csutor,
I.Hermecz,
P.Aranyi,
B.Szabo,
K.Liliom,
B.G.Vertessy,
J.Ovadi.
A New Potent Calmodulin Antagonist with Arylalkylamine Structure: Crystallographic, Spectroscopic and Functional Studies J.Mol.Biol. V. 297 747 2000.
ISSN: ISSN 0022-2836
PubMed: 10731425
DOI: 10.1006/JMBI.2000.3607
Page generated: Thu Jul 11 21:48:54 2024
|