Calcium in PDB 3gp2: Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii)
Enzymatic activity of Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii)
All present enzymatic activity of Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii):
2.7.11.17;
Protein crystallography data
The structure of Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii), PDB code: 3gp2
was solved by
H.L.Ng,
T.A.Alber,
A.J.Wand,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
25.08 /
1.46
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
69.599,
38.409,
75.012,
90.00,
125.27,
90.00
|
R / Rfree (%)
|
16 /
19.2
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii)
(pdb code 3gp2). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii), PDB code: 3gp2:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 3gp2
Go back to
Calcium Binding Sites List in 3gp2
Calcium binding site 1 out
of 4 in the Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca148
b:20.2
occ:1.00
|
OD1
|
A:ASP20
|
2.3
|
21.3
|
1.0
|
O
|
A:THR26
|
2.3
|
19.6
|
1.0
|
OD1
|
A:ASP24
|
2.4
|
25.4
|
1.0
|
OD1
|
A:ASP22
|
2.4
|
25.8
|
1.0
|
O
|
A:HOH286
|
2.5
|
26.5
|
1.0
|
OE2
|
A:GLU31
|
2.5
|
21.3
|
1.0
|
OE1
|
A:GLU31
|
2.6
|
17.6
|
1.0
|
CD
|
A:GLU31
|
2.9
|
18.4
|
1.0
|
CG
|
A:ASP22
|
3.4
|
26.3
|
1.0
|
CG
|
A:ASP24
|
3.4
|
27.6
|
1.0
|
CG
|
A:ASP20
|
3.4
|
17.9
|
1.0
|
C
|
A:THR26
|
3.5
|
18.0
|
1.0
|
OD2
|
A:ASP22
|
3.7
|
27.6
|
1.0
|
OD2
|
A:ASP24
|
4.0
|
30.2
|
1.0
|
CA
|
A:ASP20
|
4.1
|
17.8
|
1.0
|
OG1
|
A:THR26
|
4.1
|
30.0
|
1.0
|
CB
|
A:ASP20
|
4.2
|
17.2
|
1.0
|
N
|
A:THR26
|
4.2
|
21.0
|
1.0
|
OD2
|
A:ASP20
|
4.3
|
21.8
|
1.0
|
N
|
A:ASP24
|
4.3
|
25.8
|
1.0
|
CG
|
A:GLU31
|
4.4
|
16.1
|
1.0
|
CA
|
A:THR26
|
4.4
|
21.9
|
1.0
|
N
|
A:ILE27
|
4.5
|
16.1
|
1.0
|
CB
|
A:ASP24
|
4.5
|
26.8
|
1.0
|
C
|
A:ASP20
|
4.5
|
19.6
|
1.0
|
CA
|
A:ILE27
|
4.5
|
14.9
|
1.0
|
N
|
A:ASP22
|
4.6
|
26.8
|
1.0
|
CB
|
A:ASP22
|
4.7
|
26.3
|
1.0
|
O
|
A:HOH287
|
4.7
|
25.4
|
1.0
|
CA
|
A:ASP24
|
4.8
|
25.4
|
1.0
|
N
|
A:LYS21
|
4.8
|
23.0
|
1.0
|
N
|
A:GLY25
|
4.8
|
23.1
|
1.0
|
O
|
A:HOH217
|
4.8
|
27.9
|
1.0
|
N
|
A:GLY23
|
4.8
|
25.8
|
1.0
|
N
|
A:THR28
|
4.9
|
16.0
|
1.0
|
CB
|
A:THR26
|
4.9
|
24.2
|
1.0
|
CA
|
A:ASP22
|
5.0
|
26.9
|
1.0
|
CG2
|
A:THR28
|
5.0
|
19.4
|
1.0
|
C
|
A:ASP24
|
5.0
|
24.7
|
1.0
|
|
Calcium binding site 2 out
of 4 in 3gp2
Go back to
Calcium Binding Sites List in 3gp2
Calcium binding site 2 out
of 4 in the Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca149
b:14.1
occ:1.00
|
O
|
A:TYR99
|
2.2
|
15.8
|
1.0
|
OD1
|
A:ASP93
|
2.3
|
16.4
|
1.0
|
OD1
|
A:ASP95
|
2.4
|
16.6
|
1.0
|
O
|
A:HOH294
|
2.4
|
15.0
|
1.0
|
OD1
|
A:ASN97
|
2.4
|
15.6
|
1.0
|
OE1
|
A:GLU104
|
2.4
|
13.1
|
1.0
|
OE2
|
A:GLU104
|
2.6
|
16.3
|
1.0
|
CD
|
A:GLU104
|
2.8
|
13.3
|
1.0
|
CG
|
A:ASP95
|
3.3
|
17.5
|
1.0
|
CG
|
A:ASN97
|
3.4
|
16.5
|
1.0
|
C
|
A:TYR99
|
3.5
|
13.1
|
1.0
|
CG
|
A:ASP93
|
3.5
|
15.4
|
1.0
|
OD2
|
A:ASP95
|
3.7
|
19.2
|
1.0
|
ND2
|
A:ASN97
|
4.1
|
17.9
|
1.0
|
CA
|
A:ASP93
|
4.2
|
15.2
|
1.0
|
N
|
A:TYR99
|
4.2
|
14.9
|
1.0
|
N
|
A:ASN97
|
4.2
|
17.8
|
1.0
|
CB
|
A:ASP93
|
4.3
|
14.9
|
1.0
|
CB
|
A:ASN97
|
4.3
|
17.3
|
1.0
|
OD2
|
A:ASP93
|
4.3
|
16.4
|
1.0
|
CA
|
A:TYR99
|
4.3
|
14.3
|
1.0
|
CG
|
A:GLU104
|
4.4
|
12.0
|
1.0
|
N
|
A:ILE100
|
4.4
|
11.9
|
1.0
|
O
|
A:HOH284
|
4.5
|
22.4
|
1.0
|
C
|
A:ASP93
|
4.5
|
17.0
|
1.0
|
N
|
A:ASP95
|
4.5
|
17.6
|
1.0
|
CB
|
A:ASP95
|
4.5
|
17.4
|
1.0
|
CA
|
A:ILE100
|
4.5
|
11.8
|
1.0
|
N
|
A:SER101
|
4.6
|
11.5
|
1.0
|
CA
|
A:ASN97
|
4.6
|
17.2
|
1.0
|
N
|
A:GLY96
|
4.7
|
19.4
|
1.0
|
O
|
A:HOH193
|
4.7
|
17.8
|
1.0
|
N
|
A:LYS94
|
4.7
|
17.0
|
1.0
|
N
|
A:GLY98
|
4.8
|
16.0
|
1.0
|
CB
|
A:TYR99
|
4.8
|
12.2
|
1.0
|
CA
|
A:ASP95
|
4.8
|
16.7
|
1.0
|
C
|
A:ASN97
|
4.9
|
16.2
|
1.0
|
C
|
A:ASP95
|
4.9
|
19.4
|
1.0
|
O
|
A:ASP93
|
5.0
|
17.9
|
1.0
|
O
|
A:HOH237
|
5.0
|
21.7
|
1.0
|
|
Calcium binding site 3 out
of 4 in 3gp2
Go back to
Calcium Binding Sites List in 3gp2
Calcium binding site 3 out
of 4 in the Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca150
b:14.4
occ:1.00
|
OD1
|
A:ASP129
|
2.3
|
15.7
|
1.0
|
OD1
|
A:ASP133
|
2.4
|
13.0
|
1.0
|
O
|
A:GLN135
|
2.4
|
13.1
|
1.0
|
OD1
|
A:ASP131
|
2.4
|
15.3
|
1.0
|
O
|
A:HOH201
|
2.4
|
15.7
|
1.0
|
OE1
|
A:GLU140
|
2.4
|
14.0
|
1.0
|
OE2
|
A:GLU140
|
2.6
|
15.5
|
1.0
|
CD
|
A:GLU140
|
2.9
|
14.9
|
1.0
|
CG
|
A:ASP131
|
3.2
|
17.2
|
1.0
|
CG
|
A:ASP133
|
3.3
|
14.2
|
1.0
|
CG
|
A:ASP129
|
3.5
|
13.0
|
1.0
|
C
|
A:GLN135
|
3.5
|
12.4
|
1.0
|
OD2
|
A:ASP131
|
3.6
|
18.2
|
1.0
|
OD2
|
A:ASP133
|
3.7
|
15.9
|
1.0
|
N
|
A:ASP133
|
4.2
|
16.0
|
1.0
|
CA
|
A:ASP129
|
4.2
|
15.1
|
1.0
|
N
|
A:ASP131
|
4.3
|
18.1
|
1.0
|
N
|
A:GLN135
|
4.3
|
12.7
|
1.0
|
CB
|
A:ASP129
|
4.3
|
15.0
|
1.0
|
OD2
|
A:ASP129
|
4.3
|
16.6
|
1.0
|
CA
|
A:VAL136
|
4.3
|
12.8
|
1.0
|
N
|
A:VAL136
|
4.4
|
12.5
|
1.0
|
CG
|
A:GLU140
|
4.4
|
15.1
|
1.0
|
CB
|
A:ASP133
|
4.4
|
14.4
|
1.0
|
N
|
A:ASN137
|
4.5
|
13.6
|
1.0
|
CB
|
A:ASP131
|
4.5
|
18.0
|
1.0
|
N
|
A:GLY132
|
4.5
|
17.3
|
1.0
|
C
|
A:ASP129
|
4.5
|
16.2
|
1.0
|
CA
|
A:GLN135
|
4.5
|
13.0
|
1.0
|
CA
|
A:ASP131
|
4.6
|
17.7
|
1.0
|
CA
|
A:ASP133
|
4.7
|
15.2
|
1.0
|
N
|
A:ILE130
|
4.7
|
16.5
|
1.0
|
CG
|
A:GLN135
|
4.7
|
18.4
|
1.0
|
C
|
A:ASP131
|
4.7
|
18.0
|
1.0
|
N
|
A:GLY134
|
4.8
|
13.6
|
1.0
|
C
|
A:VAL136
|
4.9
|
12.3
|
1.0
|
C
|
A:ASP133
|
4.9
|
14.4
|
1.0
|
CG
|
A:ASN137
|
5.0
|
14.9
|
1.0
|
|
Calcium binding site 4 out
of 4 in 3gp2
Go back to
Calcium Binding Sites List in 3gp2
Calcium binding site 4 out
of 4 in the Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii)
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii) within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca151
b:21.8
occ:1.00
|
OD1
|
A:ASP56
|
2.2
|
23.9
|
1.0
|
O
|
A:THR62
|
2.3
|
19.4
|
1.0
|
O
|
A:HOH288
|
2.4
|
25.3
|
1.0
|
OD1
|
A:ASN60
|
2.4
|
25.0
|
1.0
|
OD1
|
A:ASP58
|
2.4
|
26.3
|
1.0
|
OE1
|
A:GLU67
|
2.5
|
18.3
|
1.0
|
OE2
|
A:GLU67
|
2.6
|
19.4
|
1.0
|
CD
|
A:GLU67
|
2.9
|
18.1
|
1.0
|
CG
|
A:ASP58
|
3.4
|
27.0
|
1.0
|
CG
|
A:ASN60
|
3.4
|
25.4
|
1.0
|
CG
|
A:ASP56
|
3.4
|
22.1
|
1.0
|
C
|
A:THR62
|
3.5
|
19.3
|
1.0
|
O
|
A:HOH305
|
3.7
|
32.2
|
1.0
|
OD2
|
A:ASP58
|
3.8
|
30.1
|
1.0
|
ND2
|
A:ASN60
|
4.0
|
26.7
|
1.0
|
N
|
A:ASN60
|
4.2
|
25.5
|
1.0
|
CA
|
A:ASP56
|
4.2
|
20.1
|
1.0
|
N
|
A:THR62
|
4.2
|
21.8
|
1.0
|
OD2
|
A:ASP56
|
4.3
|
23.3
|
1.0
|
CB
|
A:ASP56
|
4.4
|
20.6
|
1.0
|
CG
|
A:GLU67
|
4.4
|
16.3
|
1.0
|
N
|
A:ILE63
|
4.4
|
17.9
|
1.0
|
CA
|
A:ILE63
|
4.5
|
16.5
|
1.0
|
CA
|
A:THR62
|
4.5
|
20.0
|
1.0
|
N
|
A:ASP58
|
4.5
|
23.7
|
1.0
|
CB
|
A:ASN60
|
4.5
|
25.7
|
1.0
|
OG1
|
A:THR62
|
4.6
|
25.1
|
1.0
|
C
|
A:ASP56
|
4.6
|
21.5
|
1.0
|
N
|
A:ASP64
|
4.6
|
16.0
|
1.0
|
O
|
A:HOH289
|
4.6
|
25.1
|
1.0
|
CB
|
A:ASP58
|
4.7
|
26.8
|
1.0
|
N
|
A:GLY61
|
4.7
|
25.0
|
1.0
|
N
|
A:GLY59
|
4.7
|
27.3
|
1.0
|
CA
|
A:ASN60
|
4.7
|
25.2
|
1.0
|
N
|
A:ALA57
|
4.8
|
21.4
|
1.0
|
OD2
|
A:ASP64
|
4.8
|
28.3
|
1.0
|
C
|
A:ASN60
|
4.9
|
25.1
|
1.0
|
CA
|
A:ASP58
|
4.9
|
25.8
|
1.0
|
CG
|
A:ASP64
|
4.9
|
20.4
|
1.0
|
C
|
A:ILE63
|
4.9
|
17.5
|
1.0
|
C
|
A:ASP58
|
5.0
|
26.7
|
1.0
|
|
Reference:
H.L.Ng,
T.A.Alber,
A.J.Wand.
Calmodulin Bound to Peptide From Calmodulin Kinase II (Camkii) To Be Published.
Page generated: Sat Jul 13 10:45:29 2024
|