Calcium in PDB 7zrq: 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex
Enzymatic activity of 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex
All present enzymatic activity of 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex:
2.7.11.17;
Protein crystallography data
The structure of 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex, PDB code: 7zrq
was solved by
N.Helassa,
S.Antonyuk,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
39.59 /
1.68
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
41.38,
54.52,
57.5,
90,
90,
90
|
|
R / Rfree (%)
|
20.5 /
24.4
|
Calcium Binding Sites:
The binding sites of Calcium atom in the 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex
(pdb code 7zrq). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex, PDB code: 7zrq:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 7zrq
Go back to
Calcium Binding Sites List in 7zrq
Calcium binding site 1 out
of 4 in the 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca201
b:20.8
occ:1.00
|
O
|
A:THR26
|
2.3
|
19.5
|
1.0
|
|
OD1
|
A:ASP20
|
2.4
|
21.6
|
1.0
|
|
OD1
|
A:ASP22
|
2.4
|
20.7
|
1.0
|
|
OE2
|
A:GLU31
|
2.4
|
20.0
|
1.0
|
|
OD1
|
A:ASP24
|
2.4
|
26.4
|
1.0
|
|
O
|
A:HOH321
|
2.4
|
37.6
|
1.0
|
|
OE1
|
A:GLU31
|
2.4
|
21.3
|
1.0
|
|
CD
|
A:GLU31
|
2.7
|
23.3
|
1.0
|
|
CG
|
A:ASP22
|
3.3
|
25.2
|
1.0
|
|
CG
|
A:ASP24
|
3.3
|
25.5
|
1.0
|
|
H
|
A:ASP24
|
3.3
|
24.6
|
1.0
|
|
H
|
A:THR26
|
3.4
|
22.2
|
1.0
|
|
CG
|
A:ASP20
|
3.5
|
21.4
|
1.0
|
|
HA
|
A:ASP20
|
3.5
|
22.5
|
1.0
|
|
H
|
A:ASP22
|
3.5
|
25.7
|
1.0
|
|
C
|
A:THR26
|
3.6
|
19.9
|
1.0
|
|
OD2
|
A:ASP22
|
3.6
|
28.7
|
1.0
|
|
HG23
|
A:THR26
|
3.6
|
24.9
|
1.0
|
|
HA
|
A:ILE27
|
3.7
|
18.8
|
1.0
|
|
OD2
|
A:ASP24
|
3.8
|
29.4
|
1.0
|
|
HG22
|
A:THR28
|
3.8
|
20.6
|
1.0
|
|
H
|
A:GLY23
|
4.1
|
26.4
|
1.0
|
|
N
|
A:ASP24
|
4.1
|
25.1
|
1.0
|
|
H
|
A:THR28
|
4.2
|
19.2
|
1.0
|
|
CA
|
A:ASP20
|
4.2
|
22.8
|
1.0
|
|
H
|
A:GLY25
|
4.2
|
23.6
|
1.0
|
|
N
|
A:THR26
|
4.2
|
22.1
|
1.0
|
|
CG
|
A:GLU31
|
4.2
|
20.8
|
1.0
|
|
OD2
|
A:ASP20
|
4.3
|
25.0
|
1.0
|
|
N
|
A:ASP22
|
4.3
|
25.4
|
1.0
|
|
CB
|
A:ASP20
|
4.3
|
21.5
|
1.0
|
|
CB
|
A:ASP24
|
4.3
|
20.7
|
1.0
|
|
H
|
A:LYS21
|
4.4
|
23.9
|
1.0
|
|
CG2
|
A:THR26
|
4.4
|
25.9
|
1.0
|
|
C
|
A:ASP20
|
4.4
|
22.6
|
1.0
|
|
HB3
|
A:ASP24
|
4.4
|
22.2
|
1.0
|
|
HG22
|
A:THR26
|
4.5
|
24.9
|
1.0
|
|
CA
|
A:THR26
|
4.5
|
21.4
|
1.0
|
|
N
|
A:ILE27
|
4.5
|
19.2
|
1.0
|
|
CB
|
A:ASP22
|
4.5
|
24.4
|
1.0
|
|
CA
|
A:ILE27
|
4.5
|
18.9
|
1.0
|
|
HG3
|
A:GLU31
|
4.5
|
21.1
|
1.0
|
|
HB2
|
A:ASP20
|
4.6
|
21.8
|
1.0
|
|
N
|
A:GLY23
|
4.6
|
26.9
|
1.0
|
|
N
|
A:LYS21
|
4.6
|
23.4
|
1.0
|
|
HG2
|
A:GLU31
|
4.7
|
21.1
|
1.0
|
|
CA
|
A:ASP24
|
4.7
|
22.9
|
1.0
|
|
N
|
A:GLY25
|
4.7
|
23.8
|
1.0
|
|
HG1
|
A:THR28
|
4.7
|
30.0
|
0.0
|
|
CA
|
A:ASP22
|
4.8
|
25.1
|
1.0
|
|
CG2
|
A:THR28
|
4.8
|
20.6
|
1.0
|
|
N
|
A:THR28
|
4.8
|
19.1
|
1.0
|
|
HB3
|
A:ASP22
|
4.9
|
24.8
|
1.0
|
|
C
|
A:ASP22
|
4.9
|
26.2
|
1.0
|
|
C
|
A:ASP24
|
5.0
|
23.1
|
1.0
|
|
O
|
A:ASP20
|
5.0
|
24.1
|
1.0
|
|
Calcium binding site 2 out
of 4 in 7zrq
Go back to
Calcium Binding Sites List in 7zrq
Calcium binding site 2 out
of 4 in the 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca202
b:23.1
occ:1.00
|
O
|
A:HOH317
|
2.3
|
43.5
|
1.0
|
|
OD1
|
A:ASN60
|
2.4
|
33.0
|
1.0
|
|
O
|
A:THR62
|
2.4
|
22.4
|
1.0
|
|
OD1
|
A:ASP56
|
2.4
|
32.2
|
1.0
|
|
OE2
|
A:GLU67
|
2.4
|
21.5
|
0.5
|
|
OE1
|
A:GLU67
|
2.4
|
21.7
|
0.5
|
|
OD1
|
A:ASP58
|
2.4
|
29.2
|
1.0
|
|
OE1
|
A:GLU67
|
2.5
|
19.1
|
0.5
|
|
OE2
|
A:GLU67
|
2.5
|
19.0
|
0.5
|
|
CD
|
A:GLU67
|
2.8
|
22.8
|
0.5
|
|
CD
|
A:GLU67
|
2.8
|
20.1
|
0.5
|
|
CG
|
A:ASP58
|
3.4
|
35.1
|
1.0
|
|
CG
|
A:ASN60
|
3.5
|
37.5
|
1.0
|
|
HA
|
A:ASP56
|
3.5
|
33.4
|
1.0
|
|
C
|
A:THR62
|
3.5
|
26.8
|
1.0
|
|
CG
|
A:ASP56
|
3.5
|
32.3
|
1.0
|
|
H
|
A:ASP58
|
3.5
|
33.4
|
1.0
|
|
H
|
A:THR62
|
3.7
|
25.9
|
1.0
|
|
H
|
A:ASN60
|
3.7
|
37.2
|
1.0
|
|
HA
|
A:ILE63
|
3.7
|
24.5
|
1.0
|
|
H
|
A:ASP64
|
3.8
|
20.9
|
1.0
|
|
OD2
|
A:ASP58
|
3.9
|
35.6
|
1.0
|
|
HD22
|
A:ASN60
|
3.9
|
30.0
|
0.0
|
|
HG1
|
A:THR62
|
4.1
|
30.0
|
0.0
|
|
H
|
A:ALA57
|
4.1
|
32.5
|
1.0
|
|
ND2
|
A:ASN60
|
4.1
|
36.5
|
1.0
|
|
CA
|
A:ASP56
|
4.2
|
32.9
|
1.0
|
|
CG
|
A:GLU67
|
4.3
|
23.7
|
0.5
|
|
N
|
A:THR62
|
4.3
|
25.2
|
1.0
|
|
CB
|
A:ASP56
|
4.3
|
32.5
|
1.0
|
|
CG
|
A:GLU67
|
4.4
|
21.2
|
0.5
|
|
O
|
A:HOH314
|
4.4
|
32.3
|
0.5
|
|
H
|
A:GLY59
|
4.4
|
37.1
|
1.0
|
|
OD2
|
A:ASP56
|
4.4
|
31.7
|
1.0
|
|
N
|
A:ILE63
|
4.4
|
24.3
|
1.0
|
|
N
|
A:ASP58
|
4.4
|
32.4
|
1.0
|
|
C
|
A:ASP56
|
4.4
|
33.9
|
1.0
|
|
H
|
A:GLY61
|
4.4
|
31.0
|
1.0
|
|
N
|
A:ALA57
|
4.5
|
31.5
|
1.0
|
|
CA
|
A:ILE63
|
4.5
|
25.0
|
1.0
|
|
N
|
A:ASN60
|
4.5
|
36.2
|
1.0
|
|
N
|
A:ASP64
|
4.5
|
19.6
|
1.0
|
|
OG1
|
A:THR62
|
4.5
|
25.5
|
1.0
|
|
CA
|
A:THR62
|
4.5
|
25.6
|
1.0
|
|
HB2
|
A:ASP56
|
4.5
|
32.5
|
1.0
|
|
CB
|
A:ASN60
|
4.6
|
38.1
|
1.0
|
|
HB3
|
A:ASN60
|
4.6
|
37.6
|
1.0
|
|
HB2
|
A:ASP64
|
4.7
|
22.6
|
1.0
|
|
HG3
|
A:GLU67
|
4.7
|
21.3
|
0.5
|
|
HG3
|
A:GLU67
|
4.7
|
23.8
|
0.5
|
|
HG2
|
A:GLU67
|
4.7
|
23.8
|
0.5
|
|
CB
|
A:ASP58
|
4.7
|
34.8
|
1.0
|
|
OD2
|
A:ASP64
|
4.8
|
24.4
|
1.0
|
|
HG2
|
A:GLU67
|
4.8
|
21.3
|
0.5
|
|
N
|
A:GLY59
|
4.8
|
37.0
|
1.0
|
|
N
|
A:GLY61
|
4.8
|
30.1
|
1.0
|
|
HB2
|
A:GLU67
|
4.9
|
25.3
|
0.5
|
|
C
|
A:ILE63
|
4.9
|
22.9
|
1.0
|
|
CA
|
A:ASN60
|
4.9
|
36.7
|
1.0
|
|
CA
|
A:ASP58
|
4.9
|
34.0
|
1.0
|
|
HD21
|
A:ASN60
|
5.0
|
30.0
|
0.0
|
|
Calcium binding site 3 out
of 4 in 7zrq
Go back to
Calcium Binding Sites List in 7zrq
Calcium binding site 3 out
of 4 in the 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca203
b:24.1
occ:1.00
|
O
|
A:TYR99
|
2.4
|
27.6
|
1.0
|
|
OD1
|
A:ASP95
|
2.4
|
32.2
|
1.0
|
|
OD1
|
A:ASP93
|
2.4
|
24.1
|
1.0
|
|
OD1
|
A:ASN97
|
2.4
|
24.2
|
1.0
|
|
O
|
A:HOH316
|
2.5
|
43.5
|
1.0
|
|
OE2
|
A:GLU104
|
2.5
|
24.4
|
1.0
|
|
OE1
|
A:GLU104
|
2.5
|
24.1
|
1.0
|
|
CD
|
A:GLU104
|
2.8
|
22.4
|
1.0
|
|
CG
|
A:ASP95
|
3.3
|
33.5
|
1.0
|
|
H
|
A:ASN97
|
3.3
|
27.5
|
1.0
|
|
CG
|
A:ASN97
|
3.4
|
27.5
|
1.0
|
|
H
|
A:ASP95
|
3.4
|
31.0
|
1.0
|
|
HA
|
A:ASP93
|
3.5
|
27.3
|
1.0
|
|
CG
|
A:ASP93
|
3.5
|
25.8
|
1.0
|
|
H
|
A:TYR99
|
3.5
|
26.5
|
1.0
|
|
C
|
A:TYR99
|
3.6
|
24.6
|
1.0
|
|
OD2
|
A:ASP95
|
3.7
|
36.7
|
1.0
|
|
HA
|
A:ILE100
|
3.7
|
21.9
|
1.0
|
|
HD22
|
A:ASN97
|
3.8
|
30.0
|
0.0
|
|
H
|
A:SER101
|
3.8
|
22.2
|
1.0
|
|
H
|
A:GLY96
|
4.0
|
28.5
|
1.0
|
|
ND2
|
A:ASN97
|
4.0
|
29.6
|
1.0
|
|
HB2
|
A:TYR99
|
4.1
|
28.6
|
1.0
|
|
N
|
A:ASN97
|
4.2
|
27.7
|
1.0
|
|
H
|
A:LYS94
|
4.2
|
30.2
|
1.0
|
|
CA
|
A:ASP93
|
4.2
|
28.0
|
1.0
|
|
N
|
A:TYR99
|
4.2
|
26.5
|
1.0
|
|
N
|
A:ASP95
|
4.2
|
30.3
|
1.0
|
|
CG
|
A:GLU104
|
4.3
|
23.3
|
1.0
|
|
OD2
|
A:ASP93
|
4.3
|
27.2
|
1.0
|
|
H
|
A:GLY98
|
4.4
|
24.8
|
1.0
|
|
CB
|
A:ASP93
|
4.4
|
25.9
|
1.0
|
|
C
|
A:ASP93
|
4.4
|
28.4
|
1.0
|
|
CA
|
A:TYR99
|
4.4
|
26.4
|
1.0
|
|
N
|
A:GLY96
|
4.5
|
27.9
|
1.0
|
|
CB
|
A:ASN97
|
4.5
|
27.3
|
1.0
|
|
N
|
A:LYS94
|
4.5
|
30.1
|
1.0
|
|
CB
|
A:ASP95
|
4.5
|
32.6
|
1.0
|
|
CA
|
A:ILE100
|
4.5
|
21.8
|
1.0
|
|
N
|
A:ILE100
|
4.5
|
21.6
|
1.0
|
|
N
|
A:SER101
|
4.5
|
21.8
|
1.0
|
|
HB3
|
A:ASN97
|
4.6
|
27.2
|
1.0
|
|
HB3
|
A:SER101
|
4.6
|
20.9
|
1.0
|
|
HB2
|
A:ASP93
|
4.6
|
26.4
|
1.0
|
|
HG3
|
A:GLU104
|
4.7
|
22.9
|
1.0
|
|
CA
|
A:ASP95
|
4.7
|
30.7
|
1.0
|
|
CB
|
A:TYR99
|
4.7
|
29.0
|
1.0
|
|
HG2
|
A:GLU104
|
4.7
|
22.9
|
1.0
|
|
CA
|
A:ASN97
|
4.8
|
26.8
|
1.0
|
|
HD21
|
A:ASN97
|
4.8
|
30.0
|
0.0
|
|
C
|
A:ASP95
|
4.8
|
30.7
|
1.0
|
|
HB3
|
A:ASP95
|
4.8
|
32.4
|
1.0
|
|
N
|
A:GLY98
|
4.8
|
24.1
|
1.0
|
|
OG
|
A:SER101
|
5.0
|
20.4
|
1.0
|
|
O
|
A:ASP93
|
5.0
|
28.9
|
1.0
|
|
Calcium binding site 4 out
of 4 in 7zrq
Go back to
Calcium Binding Sites List in 7zrq
Calcium binding site 4 out
of 4 in the 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of 1.68 Angstrom Crystal Structure of Ca/Cam-E140G:Camkiidelta Peptide Complex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca204
b:26.2
occ:1.00
|
O
|
A:HOH319
|
2.2
|
39.3
|
1.0
|
|
OD1
|
A:ASP129
|
2.4
|
23.0
|
1.0
|
|
OD1
|
A:ASP131
|
2.4
|
27.1
|
1.0
|
|
OD1
|
A:ASP133
|
2.4
|
26.2
|
1.0
|
|
O
|
A:GLN135
|
2.4
|
27.5
|
1.0
|
|
CG
|
A:ASP133
|
3.2
|
33.1
|
1.0
|
|
H
|
A:ASP131
|
3.3
|
23.4
|
1.0
|
|
H
|
A:ASP133
|
3.4
|
28.7
|
1.0
|
|
CG
|
A:ASP129
|
3.4
|
25.3
|
1.0
|
|
H
|
A:GLN135
|
3.5
|
28.7
|
1.0
|
|
C
|
A:GLN135
|
3.5
|
29.3
|
1.0
|
|
CG
|
A:ASP131
|
3.5
|
27.0
|
1.0
|
|
HA
|
A:ASP129
|
3.6
|
22.6
|
1.0
|
|
OD2
|
A:ASP133
|
3.6
|
36.0
|
1.0
|
|
H
|
A:ASN137
|
3.7
|
26.8
|
1.0
|
|
HA
|
A:VAL136
|
3.7
|
25.6
|
1.0
|
|
H
|
A:ILE130
|
3.7
|
21.9
|
1.0
|
|
H
|
A:GLY132
|
3.7
|
25.1
|
1.0
|
|
HG3
|
A:GLN135
|
3.9
|
33.1
|
1.0
|
|
N
|
A:ASP131
|
4.1
|
23.6
|
1.0
|
|
HG2
|
A:GLN135
|
4.2
|
33.0
|
1.0
|
|
OD2
|
A:ASP131
|
4.2
|
31.4
|
1.0
|
|
N
|
A:GLN135
|
4.2
|
28.5
|
1.0
|
|
OD2
|
A:ASP129
|
4.2
|
25.2
|
1.0
|
|
CA
|
A:ASP129
|
4.2
|
22.2
|
1.0
|
|
N
|
A:ASP133
|
4.2
|
28.8
|
1.0
|
|
N
|
A:ILE130
|
4.2
|
21.8
|
1.0
|
|
CB
|
A:ASP129
|
4.2
|
23.2
|
1.0
|
|
HB2
|
A:ASN137
|
4.2
|
33.3
|
1.0
|
|
H
|
A:GLY134
|
4.3
|
26.4
|
1.0
|
|
N
|
A:VAL136
|
4.4
|
25.8
|
1.0
|
|
N
|
A:GLY132
|
4.4
|
24.3
|
1.0
|
|
N
|
A:ASN137
|
4.4
|
26.4
|
1.0
|
|
CA
|
A:GLN135
|
4.4
|
28.9
|
1.0
|
|
HB2
|
A:ASP129
|
4.4
|
23.4
|
1.0
|
|
CB
|
A:ASP133
|
4.4
|
31.9
|
1.0
|
|
CA
|
A:VAL136
|
4.4
|
25.6
|
1.0
|
|
C
|
A:ASP129
|
4.5
|
21.4
|
1.0
|
|
CG
|
A:GLN135
|
4.5
|
33.4
|
1.0
|
|
HB3
|
A:ASP133
|
4.6
|
31.6
|
1.0
|
|
CB
|
A:ASP131
|
4.6
|
25.8
|
1.0
|
|
N
|
A:GLY134
|
4.7
|
25.6
|
1.0
|
|
CA
|
A:ASP131
|
4.7
|
25.8
|
1.0
|
|
CA
|
A:ASP133
|
4.7
|
29.4
|
1.0
|
|
HB
|
A:ILE130
|
4.8
|
24.0
|
1.0
|
|
HD1
|
A:TYR99
|
4.8
|
32.5
|
1.0
|
|
C
|
A:VAL136
|
4.8
|
25.9
|
1.0
|
|
HB3
|
A:ASP131
|
4.8
|
26.1
|
1.0
|
|
C
|
A:ASP131
|
4.9
|
24.9
|
1.0
|
|
C
|
A:ASP133
|
5.0
|
28.2
|
1.0
|
|
Reference:
O.Prakash,
N.Gupta,
A.Milburn,
L.Mccormick,
V.Deugi,
P.Fisch,
J.Wyles,
N.L.Thomas,
S.Antonyuk,
C.Dart,
N.Helassa.
Calmodulin Variant E140G Associated with Long Qt Syndrome Impairs Camkii Delta Autophosphorylation and L-Type Calcium Channel (Ca V 1.2) Inactivation. J.Biol.Chem. 02777 2022.
ISSN: ESSN 1083-351X
PubMed: 36496072
DOI: 10.1016/J.JBC.2022.102777
Page generated: Fri Jul 19 06:34:51 2024
|
