Calcium in PDB 1prw: Crystal Structure of Bovine Brain Ca++ Calmodulin in A Compact Form
Protein crystallography data
The structure of Crystal Structure of Bovine Brain Ca++ Calmodulin in A Compact Form, PDB code: 1prw
was solved by
J.L.Fallon,
F.A.Quiocho,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
14.59 /
1.70
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
63.320,
35.750,
68.030,
90.00,
117.19,
90.00
|
R / Rfree (%)
|
18.6 /
23
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Bovine Brain Ca++ Calmodulin in A Compact Form
(pdb code 1prw). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the
Crystal Structure of Bovine Brain Ca++ Calmodulin in A Compact Form, PDB code: 1prw:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 1prw
Go back to
Calcium Binding Sites List in 1prw
Calcium binding site 1 out
of 4 in the Crystal Structure of Bovine Brain Ca++ Calmodulin in A Compact Form
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 Bovine Brain Ca++ Calmodulin in A Compact Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca377
b:20.8
occ:1.00
|
OD1
|
A:ASP20
|
2.2
|
31.4
|
1.0
|
OD1
|
A:ASP24
|
2.3
|
34.6
|
1.0
|
O
|
A:THR26
|
2.4
|
20.4
|
1.0
|
OD1
|
A:ASP22
|
2.4
|
40.8
|
1.0
|
OE2
|
A:GLU31
|
2.5
|
22.5
|
1.0
|
OE1
|
A:GLU31
|
2.5
|
20.6
|
1.0
|
O
|
A:HOH200
|
2.5
|
29.0
|
1.0
|
CD
|
A:GLU31
|
2.8
|
21.7
|
1.0
|
CG
|
A:ASP22
|
3.2
|
39.7
|
1.0
|
CG
|
A:ASP24
|
3.4
|
36.3
|
1.0
|
OD2
|
A:ASP22
|
3.4
|
39.5
|
1.0
|
CG
|
A:ASP20
|
3.4
|
30.1
|
1.0
|
C
|
A:THR26
|
3.6
|
20.7
|
1.0
|
OD2
|
A:ASP24
|
4.1
|
35.9
|
1.0
|
N
|
A:ASP24
|
4.1
|
35.1
|
1.0
|
CA
|
A:ASP20
|
4.1
|
29.6
|
1.0
|
OD2
|
A:ASP20
|
4.3
|
31.0
|
1.0
|
CB
|
A:ASP24
|
4.3
|
34.8
|
1.0
|
CG
|
A:GLU31
|
4.3
|
21.3
|
1.0
|
CB
|
A:ASP20
|
4.3
|
29.7
|
1.0
|
N
|
A:THR26
|
4.3
|
23.2
|
1.0
|
OG1
|
A:THR26
|
4.4
|
25.3
|
1.0
|
C
|
A:ASP20
|
4.4
|
31.5
|
1.0
|
N
|
A:ASP22
|
4.5
|
37.7
|
1.0
|
N
|
A:GLY23
|
4.5
|
37.1
|
1.0
|
CA
|
A:ILE27
|
4.5
|
16.7
|
1.0
|
N
|
A:LYS21
|
4.5
|
34.2
|
1.0
|
N
|
A:ILE27
|
4.5
|
18.5
|
1.0
|
CA
|
A:THR26
|
4.5
|
22.2
|
1.0
|
CB
|
A:ASP22
|
4.6
|
38.2
|
1.0
|
CA
|
A:ASP24
|
4.7
|
34.2
|
1.0
|
N
|
A:THR28
|
4.8
|
16.0
|
1.0
|
O
|
A:HOH307
|
4.9
|
41.5
|
1.0
|
O
|
A:HOH305
|
4.9
|
18.7
|
1.0
|
N
|
A:GLY25
|
4.9
|
30.6
|
1.0
|
CA
|
A:ASP22
|
4.9
|
37.7
|
1.0
|
CG2
|
A:THR28
|
4.9
|
18.5
|
1.0
|
|
Calcium binding site 2 out
of 4 in 1prw
Go back to
Calcium Binding Sites List in 1prw
Calcium binding site 2 out
of 4 in the Crystal Structure of Bovine Brain Ca++ Calmodulin in A Compact Form
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 Bovine Brain Ca++ Calmodulin in A Compact Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca378
b:14.5
occ:1.00
|
OD1
|
A:ASN60
|
2.2
|
20.8
|
1.0
|
OD1
|
A:ASP56
|
2.3
|
14.1
|
1.0
|
O
|
A:THR62
|
2.4
|
16.4
|
1.0
|
OD1
|
A:ASP58
|
2.4
|
16.7
|
1.0
|
OE1
|
A:GLU67
|
2.4
|
10.9
|
1.0
|
O
|
A:HOH178
|
2.4
|
18.5
|
1.0
|
OE2
|
A:GLU67
|
2.5
|
14.3
|
1.0
|
CD
|
A:GLU67
|
2.8
|
13.2
|
1.0
|
CG
|
A:ASN60
|
3.2
|
22.2
|
1.0
|
CG
|
A:ASP58
|
3.3
|
18.1
|
1.0
|
CG
|
A:ASP56
|
3.5
|
15.8
|
1.0
|
C
|
A:THR62
|
3.5
|
16.2
|
1.0
|
OD2
|
A:ASP58
|
3.6
|
18.1
|
1.0
|
ND2
|
A:ASN60
|
3.7
|
21.5
|
1.0
|
O
|
A:HOH295
|
3.9
|
43.2
|
1.0
|
N
|
A:ASN60
|
4.2
|
19.6
|
1.0
|
N
|
A:THR62
|
4.3
|
17.1
|
1.0
|
CA
|
A:ASP56
|
4.3
|
13.9
|
1.0
|
OD2
|
A:ASP56
|
4.3
|
15.0
|
1.0
|
CG
|
A:GLU67
|
4.3
|
12.6
|
1.0
|
CA
|
A:ILE63
|
4.3
|
15.3
|
1.0
|
N
|
A:ILE63
|
4.4
|
16.7
|
1.0
|
CB
|
A:ASN60
|
4.4
|
21.1
|
1.0
|
CB
|
A:ASP56
|
4.4
|
14.8
|
1.0
|
N
|
A:ASP58
|
4.5
|
16.1
|
1.0
|
CA
|
A:THR62
|
4.5
|
16.5
|
1.0
|
OG1
|
A:THR62
|
4.6
|
19.8
|
1.0
|
N
|
A:ASP64
|
4.6
|
16.4
|
1.0
|
C
|
A:ASP56
|
4.6
|
14.6
|
1.0
|
CB
|
A:ASP58
|
4.7
|
16.7
|
1.0
|
CA
|
A:ASN60
|
4.7
|
20.2
|
1.0
|
OD2
|
A:ASP64
|
4.7
|
20.5
|
1.0
|
N
|
A:GLY59
|
4.8
|
16.6
|
1.0
|
N
|
A:GLY61
|
4.8
|
19.8
|
1.0
|
N
|
A:ALA57
|
4.9
|
14.7
|
1.0
|
CD1
|
A:ILE63
|
4.9
|
20.5
|
1.0
|
O
|
A:HOH282
|
4.9
|
21.9
|
1.0
|
CA
|
A:ASP58
|
4.9
|
16.7
|
1.0
|
C
|
A:ILE63
|
4.9
|
15.1
|
1.0
|
C
|
A:ASN60
|
5.0
|
19.9
|
1.0
|
C
|
A:ASP58
|
5.0
|
15.9
|
1.0
|
|
Calcium binding site 3 out
of 4 in 1prw
Go back to
Calcium Binding Sites List in 1prw
Calcium binding site 3 out
of 4 in the Crystal Structure of Bovine Brain Ca++ Calmodulin in A Compact Form
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 Bovine Brain Ca++ Calmodulin in A Compact Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca379
b:7.9
occ:1.00
|
O
|
A:GLN135
|
2.3
|
8.2
|
1.0
|
OD1
|
A:ASP129
|
2.3
|
7.5
|
1.0
|
OE1
|
A:GLU140
|
2.4
|
8.0
|
1.0
|
O
|
A:HOH291
|
2.4
|
5.8
|
1.0
|
OD1
|
A:ASP133
|
2.4
|
8.4
|
1.0
|
OD1
|
A:ASP131
|
2.4
|
7.9
|
1.0
|
OE2
|
A:GLU140
|
2.6
|
10.5
|
1.0
|
CD
|
A:GLU140
|
2.8
|
11.0
|
1.0
|
CG
|
A:ASP133
|
3.3
|
9.1
|
1.0
|
CG
|
A:ASP131
|
3.3
|
8.8
|
1.0
|
CG
|
A:ASP129
|
3.4
|
8.5
|
1.0
|
C
|
A:GLN135
|
3.4
|
6.4
|
1.0
|
OD2
|
A:ASP131
|
3.6
|
11.3
|
1.0
|
OD2
|
A:ASP133
|
3.7
|
8.2
|
1.0
|
N
|
A:ASP133
|
4.0
|
10.2
|
1.0
|
N
|
A:GLN135
|
4.2
|
6.3
|
1.0
|
CA
|
A:ASP129
|
4.2
|
9.5
|
1.0
|
CB
|
A:ASP129
|
4.3
|
8.6
|
1.0
|
OD2
|
A:ASP129
|
4.3
|
9.3
|
1.0
|
N
|
A:VAL136
|
4.3
|
6.2
|
1.0
|
CA
|
A:VAL136
|
4.3
|
6.1
|
1.0
|
N
|
A:ASP131
|
4.3
|
10.9
|
1.0
|
N
|
A:GLY132
|
4.3
|
10.0
|
1.0
|
CG
|
A:GLU140
|
4.3
|
11.5
|
1.0
|
N
|
A:ASN137
|
4.4
|
6.0
|
1.0
|
CA
|
A:GLN135
|
4.4
|
6.2
|
1.0
|
CB
|
A:ASP133
|
4.4
|
9.2
|
1.0
|
C
|
A:ASP129
|
4.5
|
10.1
|
1.0
|
CB
|
A:ASP131
|
4.5
|
11.1
|
1.0
|
CA
|
A:ASP133
|
4.6
|
9.6
|
1.0
|
N
|
A:ILE130
|
4.7
|
8.8
|
1.0
|
CA
|
A:ASP131
|
4.7
|
11.1
|
1.0
|
C
|
A:ASP131
|
4.8
|
10.8
|
1.0
|
N
|
A:GLY134
|
4.8
|
8.8
|
1.0
|
C
|
A:VAL136
|
4.8
|
7.7
|
1.0
|
C
|
A:ASP133
|
4.9
|
9.7
|
1.0
|
C
|
A:GLY132
|
5.0
|
11.6
|
1.0
|
CB
|
A:GLN135
|
5.0
|
9.0
|
1.0
|
CA
|
A:GLY132
|
5.0
|
11.4
|
1.0
|
CG
|
A:ASN137
|
5.0
|
8.1
|
1.0
|
|
Calcium binding site 4 out
of 4 in 1prw
Go back to
Calcium Binding Sites List in 1prw
Calcium binding site 4 out
of 4 in the Crystal Structure of Bovine Brain Ca++ Calmodulin in A Compact Form
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 Bovine Brain Ca++ Calmodulin in A Compact Form within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca380
b:6.9
occ:1.00
|
O
|
A:HOH203
|
2.2
|
20.2
|
1.0
|
O
|
A:TYR99
|
2.3
|
11.3
|
1.0
|
OD1
|
A:ASP93
|
2.3
|
7.5
|
1.0
|
OD1
|
A:ASP95
|
2.4
|
8.8
|
1.0
|
OD1
|
A:ASN97
|
2.4
|
10.2
|
1.0
|
OE2
|
A:GLU104
|
2.5
|
8.4
|
1.0
|
OE1
|
A:GLU104
|
2.5
|
9.2
|
1.0
|
CD
|
A:GLU104
|
2.8
|
10.6
|
1.0
|
CG
|
A:ASP95
|
3.3
|
11.2
|
1.0
|
CG
|
A:ASN97
|
3.4
|
11.6
|
1.0
|
C
|
A:TYR99
|
3.5
|
8.9
|
1.0
|
CG
|
A:ASP93
|
3.5
|
8.4
|
1.0
|
O
|
A:HOH297
|
3.7
|
27.9
|
1.0
|
OD2
|
A:ASP95
|
3.7
|
10.1
|
1.0
|
ND2
|
A:ASN97
|
3.9
|
9.9
|
1.0
|
N
|
A:TYR99
|
4.1
|
8.3
|
1.0
|
N
|
A:ASN97
|
4.1
|
8.2
|
1.0
|
CA
|
A:ASP93
|
4.2
|
7.6
|
1.0
|
CG
|
A:GLU104
|
4.3
|
9.9
|
1.0
|
N
|
A:ASP95
|
4.3
|
9.9
|
1.0
|
CA
|
A:TYR99
|
4.3
|
8.3
|
1.0
|
OD2
|
A:ASP93
|
4.4
|
8.7
|
1.0
|
CB
|
A:ASP93
|
4.4
|
6.9
|
1.0
|
N
|
A:ILE100
|
4.5
|
6.8
|
1.0
|
CB
|
A:ASN97
|
4.5
|
11.4
|
1.0
|
C
|
A:ASP93
|
4.5
|
8.0
|
1.0
|
CB
|
A:ASP95
|
4.5
|
9.4
|
1.0
|
CA
|
A:ILE100
|
4.5
|
5.2
|
1.0
|
N
|
A:GLY96
|
4.5
|
8.4
|
1.0
|
N
|
A:SER101
|
4.7
|
6.8
|
1.0
|
N
|
A:LYS94
|
4.7
|
8.2
|
1.0
|
CA
|
A:ASP95
|
4.7
|
10.2
|
1.0
|
CB
|
A:TYR99
|
4.7
|
8.3
|
1.0
|
CA
|
A:ASN97
|
4.8
|
9.6
|
1.0
|
C
|
A:ASP95
|
4.8
|
9.3
|
1.0
|
N
|
A:GLY98
|
4.8
|
9.2
|
1.0
|
OE1
|
A:GLN135
|
4.9
|
13.7
|
1.0
|
O
|
A:ASP93
|
5.0
|
9.2
|
1.0
|
|
Reference:
J.L.Fallon,
F.A.Quiocho.
A Closed Compact Structure of Native Ca(2+)-Calmodulin. Structure V. 11 1303 2003.
ISSN: ISSN 0969-2126
PubMed: 14527397
DOI: 10.1016/J.STR.2003.09.004
Page generated: Thu Jul 11 13:52:04 2024
|