Calcium in PDB 4bw8: Calmodulin with Small Bend in Central Helix
Protein crystallography data
The structure of Calmodulin with Small Bend in Central Helix, PDB code: 4bw8
was solved by
P.Kursula,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
19.615 /
1.80
|
|
Space group
|
P 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
24.380,
53.850,
59.360,
88.52,
83.02,
86.37
|
|
R / Rfree (%)
|
23.58 /
27.85
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Calmodulin with Small Bend in Central Helix
(pdb code 4bw8). 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 with Small Bend in Central Helix, PDB code: 4bw8:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 4bw8
Go back to
Calcium Binding Sites List in 4bw8
Calcium binding site 1 out
of 8 in the Calmodulin with Small Bend in Central Helix
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Calmodulin with Small Bend in Central Helix within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1147
b:9.3
occ:1.00
|
OD1
|
A:ASP20
|
2.2
|
14.0
|
1.0
|
|
O
|
A:THR26
|
2.3
|
13.1
|
1.0
|
|
OD1
|
A:ASP24
|
2.4
|
15.8
|
1.0
|
|
O
|
A:HOH2017
|
2.4
|
13.0
|
1.0
|
|
OD1
|
A:ASP22
|
2.4
|
14.6
|
1.0
|
|
OE2
|
A:GLU31
|
2.4
|
16.0
|
1.0
|
|
OE1
|
A:GLU31
|
2.5
|
10.9
|
1.0
|
|
CD
|
A:GLU31
|
2.8
|
11.3
|
1.0
|
|
CG
|
A:ASP20
|
3.3
|
12.2
|
1.0
|
|
H
|
A:ASP24
|
3.4
|
17.0
|
1.0
|
|
CG
|
A:ASP24
|
3.4
|
15.4
|
1.0
|
|
HA
|
A:ASP20
|
3.4
|
15.2
|
1.0
|
|
C
|
A:THR26
|
3.5
|
11.6
|
1.0
|
|
H
|
A:THR26
|
3.5
|
10.7
|
1.0
|
|
H
|
A:ASP22
|
3.5
|
12.8
|
1.0
|
|
CG
|
A:ASP22
|
3.6
|
17.9
|
1.0
|
|
HG1
|
A:THR26
|
3.6
|
10.2
|
1.0
|
|
HA
|
A:ILE27
|
3.9
|
9.9
|
1.0
|
|
OG1
|
A:THR26
|
4.0
|
8.4
|
1.0
|
|
OD2
|
A:ASP24
|
4.0
|
13.6
|
1.0
|
|
H
|
A:GLY23
|
4.0
|
15.9
|
1.0
|
|
CA
|
A:ASP20
|
4.1
|
12.7
|
1.0
|
|
HG21
|
A:THR28
|
4.1
|
14.6
|
1.0
|
|
OD2
|
A:ASP20
|
4.1
|
12.0
|
1.0
|
|
N
|
A:ASP24
|
4.2
|
14.2
|
1.0
|
|
CB
|
A:ASP20
|
4.2
|
14.4
|
1.0
|
|
N
|
A:THR26
|
4.2
|
8.9
|
1.0
|
|
OD2
|
A:ASP22
|
4.2
|
9.2
|
1.0
|
|
N
|
A:ASP22
|
4.3
|
10.7
|
1.0
|
|
C
|
A:ASP20
|
4.3
|
12.4
|
1.0
|
|
CG
|
A:GLU31
|
4.3
|
8.4
|
1.0
|
|
HB3
|
A:ASP24
|
4.3
|
19.4
|
1.0
|
|
H
|
A:LYS21
|
4.3
|
14.6
|
1.0
|
|
N
|
A:GLY23
|
4.4
|
13.2
|
1.0
|
|
CA
|
A:THR26
|
4.4
|
9.0
|
1.0
|
|
H
|
A:THR28
|
4.4
|
15.0
|
1.0
|
|
CB
|
A:ASP24
|
4.4
|
16.2
|
1.0
|
|
HB2
|
A:ASP20
|
4.4
|
17.3
|
1.0
|
|
N
|
A:ILE27
|
4.4
|
13.0
|
1.0
|
|
N
|
A:LYS21
|
4.5
|
12.2
|
1.0
|
|
H
|
A:GLY25
|
4.6
|
17.9
|
1.0
|
|
CA
|
A:ILE27
|
4.6
|
8.2
|
1.0
|
|
HG3
|
A:GLU31
|
4.7
|
10.2
|
1.0
|
|
CB
|
A:ASP22
|
4.7
|
14.3
|
1.0
|
|
HG2
|
A:GLU31
|
4.7
|
10.2
|
1.0
|
|
C
|
A:ASP22
|
4.7
|
15.9
|
1.0
|
|
CA
|
A:ASP24
|
4.8
|
14.3
|
1.0
|
|
CA
|
A:ASP22
|
4.8
|
16.8
|
1.0
|
|
O
|
A:ASP20
|
4.8
|
14.7
|
1.0
|
|
CB
|
A:THR26
|
4.8
|
9.5
|
1.0
|
|
O
|
A:HOH2027
|
4.9
|
10.5
|
1.0
|
|
N
|
A:GLY25
|
4.9
|
14.9
|
1.0
|
|
HB3
|
A:ASP22
|
5.0
|
17.2
|
1.0
|
|
Calcium binding site 2 out
of 8 in 4bw8
Go back to
Calcium Binding Sites List in 4bw8
Calcium binding site 2 out
of 8 in the Calmodulin with Small Bend in Central Helix
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Calmodulin with Small Bend in Central Helix within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1148
b:10.3
occ:1.00
|
O
|
A:THR62
|
2.3
|
11.4
|
1.0
|
|
OD1
|
A:ASP56
|
2.3
|
9.9
|
1.0
|
|
OE1
|
A:GLU67
|
2.3
|
12.0
|
1.0
|
|
OD1
|
A:ASN60
|
2.3
|
12.5
|
1.0
|
|
O
|
A:HOH2056
|
2.4
|
13.1
|
1.0
|
|
OD1
|
A:ASP58
|
2.5
|
12.7
|
1.0
|
|
OE2
|
A:GLU67
|
2.6
|
13.4
|
1.0
|
|
CD
|
A:GLU67
|
2.8
|
15.2
|
1.0
|
|
H
|
A:ASN60
|
3.3
|
20.7
|
1.0
|
|
CG
|
A:ASN60
|
3.4
|
15.5
|
1.0
|
|
CG
|
A:ASP58
|
3.5
|
19.9
|
1.0
|
|
CG
|
A:ASP56
|
3.5
|
11.6
|
1.0
|
|
H
|
A:ASP58
|
3.5
|
15.1
|
1.0
|
|
C
|
A:THR62
|
3.5
|
11.1
|
1.0
|
|
HA
|
A:ILE63
|
3.6
|
10.1
|
1.0
|
|
H
|
A:THR62
|
3.6
|
17.8
|
1.0
|
|
HA
|
A:ASP56
|
3.7
|
17.4
|
1.0
|
|
OD2
|
A:ASP58
|
3.9
|
14.0
|
1.0
|
|
HD22
|
A:ASN60
|
4.0
|
27.3
|
1.0
|
|
HD11
|
A:ILE63
|
4.0
|
10.4
|
1.0
|
|
O
|
A:HOH2058
|
4.0
|
14.2
|
1.0
|
|
H
|
A:ASP64
|
4.0
|
14.3
|
1.0
|
|
N
|
A:ASN60
|
4.1
|
17.2
|
1.0
|
|
ND2
|
A:ASN60
|
4.1
|
22.8
|
1.0
|
|
H
|
A:GLY61
|
4.2
|
15.4
|
1.0
|
|
H
|
A:GLY59
|
4.3
|
16.1
|
1.0
|
|
N
|
A:THR62
|
4.3
|
14.8
|
1.0
|
|
N
|
A:ASP58
|
4.3
|
12.6
|
1.0
|
|
CG
|
A:GLU67
|
4.3
|
12.0
|
1.0
|
|
CA
|
A:ASP56
|
4.3
|
14.5
|
1.0
|
|
OD2
|
A:ASP56
|
4.3
|
11.8
|
1.0
|
|
CB
|
A:ASP56
|
4.4
|
6.3
|
1.0
|
|
N
|
A:ILE63
|
4.4
|
8.6
|
1.0
|
|
CA
|
A:ILE63
|
4.4
|
8.4
|
1.0
|
|
CB
|
A:ASN60
|
4.5
|
16.8
|
1.0
|
|
C
|
A:ASP56
|
4.5
|
12.2
|
1.0
|
|
CA
|
A:THR62
|
4.5
|
11.1
|
1.0
|
|
HB2
|
A:ASP56
|
4.5
|
7.6
|
1.0
|
|
N
|
A:GLY59
|
4.5
|
13.4
|
1.0
|
|
H
|
A:ALA57
|
4.6
|
14.7
|
1.0
|
|
HB3
|
A:ASN60
|
4.6
|
20.2
|
1.0
|
|
N
|
A:GLY61
|
4.6
|
12.8
|
1.0
|
|
CB
|
A:ASP58
|
4.6
|
19.5
|
1.0
|
|
N
|
A:ASP64
|
4.7
|
11.9
|
1.0
|
|
HG3
|
A:GLU67
|
4.7
|
14.4
|
1.0
|
|
N
|
A:ALA57
|
4.7
|
12.3
|
1.0
|
|
CA
|
A:ASN60
|
4.7
|
12.8
|
1.0
|
|
OG1
|
A:THR62
|
4.7
|
13.6
|
1.0
|
|
HG2
|
A:GLU67
|
4.7
|
14.4
|
1.0
|
|
OD2
|
A:ASP64
|
4.7
|
16.7
|
1.0
|
|
CA
|
A:ASP58
|
4.8
|
16.9
|
1.0
|
|
O
|
A:HOH2055
|
4.8
|
14.9
|
1.0
|
|
C
|
A:ASP58
|
4.8
|
17.7
|
1.0
|
|
CD1
|
A:ILE63
|
4.9
|
8.6
|
1.0
|
|
HB2
|
A:GLU67
|
4.9
|
11.8
|
1.0
|
|
HD13
|
A:ILE63
|
4.9
|
10.4
|
1.0
|
|
HD21
|
A:ASN60
|
4.9
|
27.3
|
1.0
|
|
CG
|
A:ASP64
|
4.9
|
11.0
|
1.0
|
|
C
|
A:ASN60
|
5.0
|
14.0
|
1.0
|
|
HB3
|
A:ASP58
|
5.0
|
23.4
|
1.0
|
|
C
|
A:ILE63
|
5.0
|
9.1
|
1.0
|
|
Calcium binding site 3 out
of 8 in 4bw8
Go back to
Calcium Binding Sites List in 4bw8
Calcium binding site 3 out
of 8 in the Calmodulin with Small Bend in Central Helix
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Calmodulin with Small Bend in Central Helix within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1149
b:13.8
occ:1.00
|
O
|
A:HOH2090
|
2.2
|
21.2
|
1.0
|
|
OD1
|
A:ASP129
|
2.2
|
18.8
|
1.0
|
|
OD1
|
A:ASP133
|
2.4
|
19.7
|
1.0
|
|
OE1
|
A:GLU140
|
2.4
|
18.9
|
1.0
|
|
O
|
A:GLN135
|
2.4
|
14.1
|
1.0
|
|
OD1
|
A:ASP131
|
2.5
|
22.1
|
1.0
|
|
OE2
|
A:GLU140
|
2.5
|
16.5
|
1.0
|
|
CD
|
A:GLU140
|
2.8
|
19.3
|
1.0
|
|
H
|
A:ASP133
|
3.3
|
28.3
|
1.0
|
|
HA
|
A:ASP129
|
3.3
|
21.5
|
1.0
|
|
CG
|
A:ASP129
|
3.3
|
20.2
|
1.0
|
|
CG
|
A:ASP131
|
3.4
|
22.1
|
1.0
|
|
CG
|
A:ASP133
|
3.4
|
23.0
|
1.0
|
|
H
|
A:GLN135
|
3.5
|
23.3
|
1.0
|
|
C
|
A:GLN135
|
3.5
|
18.6
|
1.0
|
|
HA
|
A:VAL136
|
3.6
|
18.7
|
1.0
|
|
OD2
|
A:ASP131
|
3.7
|
21.8
|
1.0
|
|
H
|
A:ASP131
|
3.7
|
23.0
|
1.0
|
|
H
|
A:ASN137
|
3.7
|
16.9
|
1.0
|
|
OD2
|
A:ASP133
|
3.9
|
19.7
|
1.0
|
|
H
|
A:GLY132
|
4.0
|
25.6
|
1.0
|
|
CA
|
A:ASP129
|
4.1
|
17.9
|
1.0
|
|
N
|
A:ASP133
|
4.1
|
23.6
|
1.0
|
|
CB
|
A:ASP129
|
4.1
|
19.6
|
1.0
|
|
N
|
A:GLN135
|
4.2
|
19.4
|
1.0
|
|
OD2
|
A:ASP129
|
4.2
|
21.6
|
1.0
|
|
CG
|
A:GLU140
|
4.3
|
15.4
|
1.0
|
|
HB2
|
A:ASP129
|
4.3
|
23.5
|
1.0
|
|
N
|
A:VAL136
|
4.3
|
13.9
|
1.0
|
|
N
|
A:GLY132
|
4.4
|
21.4
|
1.0
|
|
CA
|
A:VAL136
|
4.4
|
15.6
|
1.0
|
|
N
|
A:ASP131
|
4.4
|
19.2
|
1.0
|
|
CA
|
A:GLN135
|
4.4
|
15.9
|
1.0
|
|
CB
|
A:ASP133
|
4.4
|
20.9
|
1.0
|
|
N
|
A:ASN137
|
4.4
|
14.1
|
1.0
|
|
HB2
|
A:GLN135
|
4.5
|
29.6
|
1.0
|
|
HB3
|
A:ASP133
|
4.5
|
25.0
|
1.0
|
|
H
|
A:GLY134
|
4.5
|
30.0
|
1.0
|
|
C
|
A:ASP129
|
4.5
|
22.4
|
1.0
|
|
H
|
A:ILE130
|
4.5
|
26.2
|
1.0
|
|
HG3
|
A:GLU140
|
4.6
|
18.5
|
1.0
|
|
CB
|
A:ASP131
|
4.6
|
22.9
|
1.0
|
|
N
|
A:ILE130
|
4.7
|
21.9
|
1.0
|
|
CA
|
A:ASP133
|
4.7
|
24.2
|
1.0
|
|
C
|
A:ASP131
|
4.7
|
21.6
|
1.0
|
|
HG2
|
A:GLU140
|
4.8
|
18.5
|
1.0
|
|
CA
|
A:ASP131
|
4.8
|
21.0
|
1.0
|
|
HB2
|
A:GLU140
|
4.8
|
18.6
|
1.0
|
|
HD1
|
A:TYR99
|
4.8
|
26.2
|
1.0
|
|
N
|
A:GLY134
|
4.8
|
25.0
|
1.0
|
|
C
|
A:VAL136
|
4.9
|
14.2
|
1.0
|
|
ND2
|
A:ASN137
|
4.9
|
13.6
|
1.0
|
|
CG
|
A:ASN137
|
4.9
|
13.3
|
1.0
|
|
C
|
A:ASP133
|
4.9
|
24.5
|
1.0
|
|
HD22
|
A:ASN137
|
4.9
|
16.3
|
1.0
|
|
HB3
|
A:ASN137
|
5.0
|
23.9
|
1.0
|
|
Calcium binding site 4 out
of 8 in 4bw8
Go back to
Calcium Binding Sites List in 4bw8
Calcium binding site 4 out
of 8 in the Calmodulin with Small Bend in Central Helix
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Calmodulin with Small Bend in Central Helix within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1150
b:16.9
occ:1.00
|
O
|
A:TYR99
|
2.2
|
17.9
|
1.0
|
|
OD1
|
A:ASP93
|
2.2
|
16.4
|
1.0
|
|
OD1
|
A:ASN97
|
2.4
|
17.6
|
1.0
|
|
OD1
|
A:ASP95
|
2.5
|
21.9
|
1.0
|
|
O
|
A:HOH2067
|
2.5
|
18.3
|
1.0
|
|
OE1
|
A:GLU104
|
2.6
|
15.6
|
1.0
|
|
OE2
|
A:GLU104
|
2.6
|
22.0
|
1.0
|
|
CD
|
A:GLU104
|
2.9
|
20.9
|
1.0
|
|
CG
|
A:ASN97
|
3.3
|
17.7
|
1.0
|
|
H
|
A:ASN97
|
3.4
|
29.1
|
1.0
|
|
CG
|
A:ASP95
|
3.4
|
24.3
|
1.0
|
|
C
|
A:TYR99
|
3.4
|
21.6
|
1.0
|
|
CG
|
A:ASP93
|
3.4
|
15.2
|
1.0
|
|
H
|
A:TYR99
|
3.6
|
24.2
|
1.0
|
|
HA
|
A:ASP93
|
3.6
|
20.0
|
1.0
|
|
HA
|
A:ILE100
|
3.6
|
18.6
|
1.0
|
|
H
|
A:ASP95
|
3.7
|
29.7
|
1.0
|
|
HD22
|
A:ASN97
|
3.8
|
27.6
|
1.0
|
|
OD2
|
A:ASP95
|
3.8
|
23.8
|
1.0
|
|
H
|
A:SER101
|
3.8
|
20.7
|
1.0
|
|
ND2
|
A:ASN97
|
3.9
|
23.0
|
1.0
|
|
O
|
A:HOH2068
|
4.0
|
24.2
|
1.0
|
|
H
|
A:GLY96
|
4.0
|
29.5
|
1.0
|
|
N
|
A:ASN97
|
4.1
|
24.2
|
1.0
|
|
OD2
|
A:ASP93
|
4.2
|
15.5
|
1.0
|
|
HB2
|
A:TYR99
|
4.2
|
25.1
|
1.0
|
|
N
|
A:TYR99
|
4.2
|
20.2
|
1.0
|
|
CA
|
A:ASP93
|
4.3
|
16.7
|
1.0
|
|
CA
|
A:TYR99
|
4.3
|
19.7
|
1.0
|
|
N
|
A:ILE100
|
4.3
|
15.3
|
1.0
|
|
CB
|
A:ASP93
|
4.3
|
12.7
|
1.0
|
|
CB
|
A:ASN97
|
4.3
|
23.1
|
1.0
|
|
HB3
|
A:ASN97
|
4.4
|
27.8
|
1.0
|
|
CA
|
A:ILE100
|
4.4
|
15.5
|
1.0
|
|
N
|
A:ASP95
|
4.4
|
24.8
|
1.0
|
|
H
|
A:GLY98
|
4.4
|
27.2
|
1.0
|
|
HE22
|
A:GLN135
|
4.4
|
38.6
|
1.0
|
|
HB3
|
A:SER101
|
4.4
|
25.9
|
1.0
|
|
H
|
A:LYS94
|
4.4
|
22.3
|
1.0
|
|
CG
|
A:GLU104
|
4.5
|
13.1
|
1.0
|
|
N
|
A:SER101
|
4.5
|
17.2
|
1.0
|
|
C
|
A:ASP93
|
4.5
|
17.1
|
1.0
|
|
N
|
A:GLY96
|
4.5
|
24.6
|
1.0
|
|
HB2
|
A:ASP93
|
4.6
|
15.2
|
1.0
|
|
CB
|
A:ASP95
|
4.6
|
27.8
|
1.0
|
|
N
|
A:LYS94
|
4.6
|
18.6
|
1.0
|
|
HD21
|
A:ASN97
|
4.7
|
27.6
|
1.0
|
|
CA
|
A:ASN97
|
4.7
|
21.4
|
1.0
|
|
CB
|
A:TYR99
|
4.8
|
20.9
|
1.0
|
|
HG3
|
A:GLU104
|
4.8
|
15.7
|
1.0
|
|
N
|
A:GLY98
|
4.8
|
22.6
|
1.0
|
|
CA
|
A:ASP95
|
4.8
|
23.6
|
1.0
|
|
HE21
|
A:GLN135
|
4.9
|
38.6
|
1.0
|
|
HG2
|
A:GLU104
|
4.9
|
15.7
|
1.0
|
|
HB3
|
A:ASP95
|
4.9
|
33.3
|
1.0
|
|
C
|
A:ASP95
|
4.9
|
27.2
|
1.0
|
|
C
|
A:ILE100
|
4.9
|
14.8
|
1.0
|
|
NE2
|
A:GLN135
|
4.9
|
32.1
|
1.0
|
|
HB2
|
A:GLU104
|
5.0
|
14.5
|
1.0
|
|
C
|
A:ASN97
|
5.0
|
26.1
|
1.0
|
|
Calcium binding site 5 out
of 8 in 4bw8
Go back to
Calcium Binding Sites List in 4bw8
Calcium binding site 5 out
of 8 in the Calmodulin with Small Bend in Central Helix
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Calmodulin with Small Bend in Central Helix within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1146
b:7.0
occ:1.00
|
OD1
|
B:ASP24
|
2.2
|
7.4
|
1.0
|
|
O
|
B:THR26
|
2.3
|
6.9
|
1.0
|
|
OD1
|
B:ASP20
|
2.3
|
8.7
|
1.0
|
|
O
|
B:HOH2014
|
2.4
|
4.9
|
1.0
|
|
OE2
|
B:GLU31
|
2.5
|
11.4
|
1.0
|
|
OD1
|
B:ASP22
|
2.5
|
8.1
|
1.0
|
|
OE1
|
B:GLU31
|
2.6
|
8.3
|
1.0
|
|
CD
|
B:GLU31
|
2.9
|
8.9
|
1.0
|
|
H
|
B:ASP24
|
3.2
|
11.1
|
1.0
|
|
CG
|
B:ASP24
|
3.2
|
10.3
|
1.0
|
|
H
|
B:THR26
|
3.4
|
7.2
|
1.0
|
|
CG
|
B:ASP20
|
3.5
|
10.4
|
1.0
|
|
H
|
B:ASP22
|
3.5
|
13.5
|
1.0
|
|
HG1
|
B:THR26
|
3.5
|
9.9
|
1.0
|
|
HA
|
B:ASP20
|
3.5
|
11.4
|
1.0
|
|
C
|
B:THR26
|
3.5
|
11.1
|
1.0
|
|
CG
|
B:ASP22
|
3.6
|
12.5
|
1.0
|
|
HA
|
B:ILE27
|
3.8
|
10.3
|
1.0
|
|
OD2
|
B:ASP24
|
3.9
|
12.0
|
1.0
|
|
OG1
|
B:THR26
|
3.9
|
8.3
|
1.0
|
|
N
|
B:ASP24
|
4.0
|
9.2
|
1.0
|
|
HB3
|
B:ASP24
|
4.0
|
11.9
|
1.0
|
|
HG21
|
B:THR28
|
4.1
|
10.6
|
1.0
|
|
CB
|
B:ASP24
|
4.1
|
9.9
|
1.0
|
|
CA
|
B:ASP20
|
4.1
|
9.5
|
1.0
|
|
OD2
|
B:ASP22
|
4.2
|
14.0
|
1.0
|
|
N
|
B:THR26
|
4.2
|
6.0
|
1.0
|
|
H
|
B:LYS21
|
4.2
|
9.3
|
1.0
|
|
C
|
B:ASP20
|
4.2
|
8.0
|
1.0
|
|
H
|
B:GLY23
|
4.2
|
11.6
|
1.0
|
|
CB
|
B:ASP20
|
4.3
|
7.6
|
1.0
|
|
N
|
B:ASP22
|
4.3
|
11.2
|
1.0
|
|
OD2
|
B:ASP20
|
4.3
|
6.1
|
1.0
|
|
CA
|
B:THR26
|
4.3
|
10.1
|
1.0
|
|
H
|
B:THR28
|
4.3
|
13.7
|
1.0
|
|
N
|
B:LYS21
|
4.4
|
7.8
|
1.0
|
|
CG
|
B:GLU31
|
4.4
|
4.9
|
1.0
|
|
HB2
|
B:ASP20
|
4.4
|
9.1
|
1.0
|
|
H
|
B:GLY25
|
4.5
|
9.2
|
1.0
|
|
N
|
B:ILE27
|
4.5
|
8.3
|
1.0
|
|
CA
|
B:ASP24
|
4.5
|
12.6
|
1.0
|
|
N
|
B:GLY23
|
4.6
|
9.6
|
1.0
|
|
CA
|
B:ILE27
|
4.6
|
8.6
|
1.0
|
|
HG3
|
B:GLU31
|
4.7
|
5.8
|
1.0
|
|
CB
|
B:ASP22
|
4.7
|
8.7
|
1.0
|
|
O
|
B:ASP20
|
4.7
|
7.7
|
1.0
|
|
N
|
B:GLY25
|
4.8
|
7.7
|
1.0
|
|
CB
|
B:THR26
|
4.8
|
8.2
|
1.0
|
|
HG2
|
B:GLU31
|
4.8
|
5.8
|
1.0
|
|
O
|
B:HOH2021
|
4.9
|
13.3
|
1.0
|
|
CA
|
B:ASP22
|
4.9
|
6.8
|
1.0
|
|
C
|
B:ASP24
|
4.9
|
9.0
|
1.0
|
|
C
|
B:ASP22
|
4.9
|
9.7
|
1.0
|
|
HB3
|
B:ASP22
|
4.9
|
10.5
|
1.0
|
|
N
|
B:THR28
|
5.0
|
11.4
|
1.0
|
|
CG2
|
B:THR28
|
5.0
|
8.9
|
1.0
|
|
HB2
|
B:ASP24
|
5.0
|
11.9
|
1.0
|
|
Calcium binding site 6 out
of 8 in 4bw8
Go back to
Calcium Binding Sites List in 4bw8
Calcium binding site 6 out
of 8 in the Calmodulin with Small Bend in Central Helix
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Calmodulin with Small Bend in Central Helix within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1147
b:7.7
occ:1.00
|
O
|
B:THR62
|
2.1
|
7.4
|
1.0
|
|
OD1
|
B:ASN60
|
2.2
|
8.8
|
1.0
|
|
OD1
|
B:ASP56
|
2.3
|
13.7
|
1.0
|
|
O
|
B:HOH2037
|
2.3
|
12.0
|
1.0
|
|
OE1
|
B:GLU67
|
2.4
|
10.5
|
1.0
|
|
OD1
|
B:ASP58
|
2.5
|
9.8
|
1.0
|
|
OE2
|
B:GLU67
|
2.8
|
12.7
|
1.0
|
|
CD
|
B:GLU67
|
3.0
|
13.8
|
1.0
|
|
CG
|
B:ASN60
|
3.3
|
11.5
|
1.0
|
|
H
|
B:ASN60
|
3.3
|
12.2
|
1.0
|
|
CG
|
B:ASP58
|
3.4
|
16.9
|
1.0
|
|
C
|
B:THR62
|
3.4
|
8.4
|
1.0
|
|
CG
|
B:ASP56
|
3.4
|
11.6
|
1.0
|
|
HA
|
B:ILE63
|
3.6
|
10.8
|
1.0
|
|
H
|
B:ASP58
|
3.6
|
15.6
|
1.0
|
|
O
|
B:HOH2038
|
3.6
|
7.5
|
1.0
|
|
HA
|
B:ASP56
|
3.7
|
16.1
|
1.0
|
|
H
|
B:THR62
|
3.7
|
11.8
|
1.0
|
|
HD22
|
B:ASN60
|
3.7
|
20.4
|
1.0
|
|
OD2
|
B:ASP58
|
3.7
|
11.0
|
1.0
|
|
ND2
|
B:ASN60
|
3.9
|
17.0
|
1.0
|
|
HG1
|
B:THR62
|
3.9
|
11.8
|
1.0
|
|
H
|
B:ASP64
|
4.1
|
12.5
|
1.0
|
|
N
|
B:ASN60
|
4.1
|
10.2
|
1.0
|
|
HD11
|
B:ILE63
|
4.1
|
19.0
|
1.0
|
|
OD2
|
B:ASP56
|
4.2
|
9.9
|
1.0
|
|
N
|
B:ILE63
|
4.3
|
10.6
|
1.0
|
|
CA
|
B:ASP56
|
4.3
|
13.4
|
1.0
|
|
CB
|
B:ASP56
|
4.3
|
9.8
|
1.0
|
|
N
|
B:THR62
|
4.3
|
9.8
|
1.0
|
|
CA
|
B:ILE63
|
4.3
|
9.0
|
1.0
|
|
CB
|
B:ASN60
|
4.4
|
14.3
|
1.0
|
|
N
|
B:ASP58
|
4.4
|
13.0
|
1.0
|
|
H
|
B:GLY59
|
4.4
|
15.3
|
1.0
|
|
CA
|
B:THR62
|
4.4
|
11.8
|
1.0
|
|
HB2
|
B:ASP56
|
4.4
|
11.8
|
1.0
|
|
H
|
B:GLY61
|
4.5
|
14.5
|
1.0
|
|
OG1
|
B:THR62
|
4.5
|
9.8
|
1.0
|
|
CG
|
B:GLU67
|
4.5
|
11.3
|
1.0
|
|
HB3
|
B:ASN60
|
4.5
|
17.2
|
1.0
|
|
C
|
B:ASP56
|
4.5
|
15.2
|
1.0
|
|
CB
|
B:ASP58
|
4.6
|
16.5
|
1.0
|
|
N
|
B:ASP64
|
4.6
|
10.4
|
1.0
|
|
N
|
B:GLY59
|
4.6
|
12.8
|
1.0
|
|
HD21
|
B:ASN60
|
4.7
|
20.4
|
1.0
|
|
CA
|
B:ASN60
|
4.7
|
10.8
|
1.0
|
|
H
|
B:ALA57
|
4.7
|
15.6
|
1.0
|
|
N
|
B:ALA57
|
4.8
|
13.0
|
1.0
|
|
N
|
B:GLY61
|
4.8
|
12.1
|
1.0
|
|
CA
|
B:ASP58
|
4.8
|
15.0
|
1.0
|
|
HG3
|
B:GLU67
|
4.9
|
13.6
|
1.0
|
|
HD13
|
B:ILE63
|
4.9
|
19.0
|
1.0
|
|
C
|
B:ILE63
|
4.9
|
10.0
|
1.0
|
|
C
|
B:ASP58
|
4.9
|
10.9
|
1.0
|
|
HB3
|
B:ASP58
|
4.9
|
19.8
|
1.0
|
|
HG2
|
B:GLU67
|
4.9
|
13.6
|
1.0
|
|
CD1
|
B:ILE63
|
4.9
|
15.8
|
1.0
|
|
OD2
|
B:ASP64
|
5.0
|
12.9
|
1.0
|
|
HB3
|
B:ASP64
|
5.0
|
11.7
|
1.0
|
|
CG
|
B:ASP64
|
5.0
|
9.4
|
1.0
|
|
C
|
B:ASN60
|
5.0
|
11.1
|
1.0
|
|
HB2
|
B:GLU67
|
5.0
|
11.1
|
1.0
|
|
Calcium binding site 7 out
of 8 in 4bw8
Go back to
Calcium Binding Sites List in 4bw8
Calcium binding site 7 out
of 8 in the Calmodulin with Small Bend in Central Helix
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Calmodulin with Small Bend in Central Helix within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1148
b:55.9
occ:1.00
|
OD1
|
B:ASP133
|
2.4
|
64.0
|
1.0
|
|
OD2
|
B:ASP131
|
2.5
|
61.0
|
1.0
|
|
OD2
|
B:ASP133
|
2.6
|
64.7
|
1.0
|
|
OE1
|
B:GLU140
|
2.6
|
44.7
|
1.0
|
|
OD1
|
B:ASP131
|
2.6
|
61.0
|
1.0
|
|
CG
|
B:ASP133
|
2.6
|
65.0
|
1.0
|
|
CG
|
B:ASP131
|
2.9
|
60.8
|
1.0
|
|
OE2
|
B:GLU140
|
3.1
|
52.3
|
1.0
|
|
CD
|
B:GLU140
|
3.2
|
48.5
|
1.0
|
|
H
|
B:ASN137
|
3.3
|
61.2
|
1.0
|
|
HB2
|
B:ASN137
|
3.4
|
61.7
|
1.0
|
|
O
|
B:GLN135
|
3.4
|
56.7
|
1.0
|
|
OD1
|
B:ASP129
|
3.5
|
56.0
|
1.0
|
|
HB2
|
B:GLN135
|
3.8
|
73.0
|
1.0
|
|
H
|
B:ASP133
|
3.9
|
78.8
|
1.0
|
|
HB3
|
B:ASP133
|
3.9
|
81.9
|
1.0
|
|
CB
|
B:ASP133
|
3.9
|
68.2
|
1.0
|
|
N
|
B:ASN137
|
3.9
|
51.0
|
1.0
|
|
C
|
B:GLN135
|
4.0
|
55.7
|
1.0
|
|
HA
|
B:VAL136
|
4.1
|
60.8
|
1.0
|
|
CB
|
B:ASN137
|
4.1
|
51.4
|
1.0
|
|
H
|
B:GLN135
|
4.2
|
72.3
|
1.0
|
|
HB3
|
B:ASN137
|
4.2
|
61.7
|
1.0
|
|
H
|
B:ASP131
|
4.3
|
69.9
|
1.0
|
|
CG
|
B:ASP129
|
4.3
|
52.6
|
1.0
|
|
CB
|
B:ASP131
|
4.4
|
60.0
|
1.0
|
|
HB2
|
B:ASP133
|
4.5
|
81.9
|
1.0
|
|
N
|
B:VAL136
|
4.6
|
53.2
|
1.0
|
|
HB3
|
B:ASP131
|
4.6
|
72.0
|
1.0
|
|
OD2
|
B:ASP129
|
4.6
|
54.2
|
1.0
|
|
N
|
B:ASP133
|
4.6
|
65.7
|
1.0
|
|
CA
|
B:VAL136
|
4.6
|
50.6
|
1.0
|
|
CB
|
B:GLN135
|
4.6
|
60.8
|
1.0
|
|
C
|
B:VAL136
|
4.6
|
53.9
|
1.0
|
|
CG
|
B:GLU140
|
4.7
|
47.4
|
1.0
|
|
CA
|
B:ASN137
|
4.7
|
52.5
|
1.0
|
|
CA
|
B:GLN135
|
4.7
|
58.3
|
1.0
|
|
HD21
|
B:ASN137
|
4.8
|
67.5
|
1.0
|
|
HD2
|
B:TYR99
|
4.8
|
79.2
|
1.0
|
|
CA
|
B:ASP133
|
4.8
|
65.2
|
1.0
|
|
N
|
B:GLN135
|
4.8
|
60.3
|
1.0
|
|
HG3
|
B:GLU140
|
4.9
|
56.8
|
1.0
|
|
HB2
|
B:ASP131
|
4.9
|
72.0
|
1.0
|
|
HB2
|
B:GLU140
|
4.9
|
60.0
|
1.0
|
|
HB3
|
B:GLN135
|
4.9
|
73.0
|
1.0
|
|
Calcium binding site 8 out
of 8 in 4bw8
Go back to
Calcium Binding Sites List in 4bw8
Calcium binding site 8 out
of 8 in the Calmodulin with Small Bend in Central Helix
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Calmodulin with Small Bend in Central Helix within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca1149
b:52.1
occ:1.00
|
O
|
B:TYR99
|
2.2
|
48.5
|
1.0
|
|
HD22
|
B:ASN97
|
2.4
|
68.0
|
1.0
|
|
OD1
|
B:ASN97
|
2.7
|
59.7
|
1.0
|
|
OE1
|
B:GLU104
|
2.7
|
28.8
|
1.0
|
|
ND2
|
B:ASN97
|
3.1
|
56.6
|
1.0
|
|
C
|
B:TYR99
|
3.1
|
52.5
|
1.0
|
|
HB2
|
B:TYR99
|
3.1
|
71.9
|
1.0
|
|
HD1
|
B:TYR99
|
3.2
|
77.4
|
1.0
|
|
CG
|
B:ASN97
|
3.3
|
61.3
|
1.0
|
|
H
|
B:SER101
|
3.3
|
43.4
|
1.0
|
|
CD
|
B:GLU104
|
3.3
|
32.6
|
1.0
|
|
OE2
|
B:GLU104
|
3.3
|
36.3
|
1.0
|
|
HB3
|
B:SER101
|
3.4
|
38.7
|
1.0
|
|
OD1
|
B:ASP93
|
3.6
|
42.3
|
1.0
|
|
H
|
B:TYR99
|
3.6
|
72.8
|
1.0
|
|
HA
|
B:ILE100
|
3.6
|
53.5
|
1.0
|
|
OD1
|
B:ASP95
|
3.7
|
50.6
|
1.0
|
|
N
|
B:SER101
|
3.8
|
36.2
|
1.0
|
|
HD21
|
B:ASN97
|
3.9
|
68.0
|
1.0
|
|
CB
|
B:TYR99
|
3.9
|
59.9
|
1.0
|
|
CA
|
B:TYR99
|
3.9
|
57.1
|
1.0
|
|
OD2
|
B:ASP95
|
3.9
|
51.1
|
1.0
|
|
N
|
B:ILE100
|
4.0
|
51.9
|
1.0
|
|
CD1
|
B:TYR99
|
4.1
|
64.5
|
1.0
|
|
CA
|
B:ILE100
|
4.1
|
44.6
|
1.0
|
|
N
|
B:TYR99
|
4.1
|
60.7
|
1.0
|
|
CG
|
B:ASP95
|
4.2
|
50.9
|
1.0
|
|
CB
|
B:SER101
|
4.2
|
32.3
|
1.0
|
|
C
|
B:ILE100
|
4.3
|
41.7
|
1.0
|
|
CG
|
B:TYR99
|
4.5
|
64.4
|
1.0
|
|
CA
|
B:SER101
|
4.5
|
31.6
|
1.0
|
|
OG
|
B:SER101
|
4.6
|
30.1
|
1.0
|
|
CG
|
B:GLU104
|
4.6
|
24.4
|
1.0
|
|
HB3
|
B:TYR99
|
4.6
|
71.9
|
1.0
|
|
HG3
|
B:GLU104
|
4.7
|
29.2
|
1.0
|
|
CG
|
B:ASP93
|
4.7
|
41.0
|
1.0
|
|
HA
|
B:ASP93
|
4.7
|
40.0
|
1.0
|
|
CB
|
B:ASN97
|
4.7
|
59.5
|
1.0
|
|
H
|
B:ILE100
|
4.7
|
62.3
|
1.0
|
|
HG
|
B:SER101
|
4.8
|
36.1
|
1.0
|
|
HA
|
B:TYR99
|
4.8
|
68.5
|
1.0
|
|
H
|
B:ASN97
|
4.8
|
67.3
|
1.0
|
|
HA
|
B:SER101
|
4.9
|
37.9
|
1.0
|
|
HB2
|
B:SER101
|
5.0
|
38.7
|
1.0
|
|
Reference:
P.Kursula,
P.Kursula.
N/A N/A.
ISSN: ISSN 0907-4449
PubMed: 24419375
DOI: 10.1107/S1399004713024437
Page generated: Sat Jul 13 22:52:36 2024
|
