Calcium in PDB 5lk5: Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
Protein crystallography data
The structure of Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K, PDB code: 5lk5
was solved by
C.Gaboriaud,
G.Cioci,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
47.77 /
2.30
|
|
Space group
|
P 42
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
196.976,
196.976,
67.806,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
21 /
24.7
|
Other elements in 5lk5:
The structure of Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
(pdb code 5lk5). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K, PDB code: 5lk5:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 5lk5
Go back to
Calcium Binding Sites List in 5lk5
Calcium binding site 1 out
of 10 in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
 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 the Globular Domain of Human Calreticulin Mutant D71K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca500
b:15.8
occ:1.00
|
O
|
A:LYS62
|
2.3
|
16.9
|
1.0
|
|
O
|
A:HOH618
|
2.3
|
11.2
|
1.0
|
|
O
|
A:GLN26
|
2.3
|
16.6
|
1.0
|
|
O
|
A:LYS64
|
2.3
|
14.8
|
1.0
|
|
OD2
|
A:ASP328
|
2.3
|
16.2
|
1.0
|
|
OD1
|
A:ASP328
|
2.3
|
15.4
|
1.0
|
|
CG
|
A:ASP328
|
2.5
|
15.1
|
1.0
|
|
O
|
A:HOH636
|
2.6
|
15.2
|
1.0
|
|
C
|
A:LYS64
|
3.4
|
18.2
|
1.0
|
|
C
|
A:GLN26
|
3.4
|
17.3
|
1.0
|
|
C
|
A:LYS62
|
3.5
|
17.5
|
1.0
|
|
N
|
A:LYS64
|
3.7
|
19.5
|
1.0
|
|
C
|
A:ASP63
|
4.1
|
17.8
|
1.0
|
|
CA
|
A:LYS64
|
4.1
|
20.5
|
1.0
|
|
CA
|
A:GLN26
|
4.1
|
18.3
|
1.0
|
|
CB
|
A:ASP328
|
4.1
|
14.7
|
1.0
|
|
O
|
A:HOH664
|
4.2
|
7.6
|
1.0
|
|
CA
|
A:ASP63
|
4.2
|
16.3
|
1.0
|
|
N
|
A:ASP63
|
4.3
|
16.4
|
1.0
|
|
CB
|
A:GLN26
|
4.3
|
17.8
|
1.0
|
|
O
|
A:PHE27
|
4.3
|
18.1
|
1.0
|
|
CB
|
A:PHE27
|
4.4
|
17.8
|
1.0
|
|
N
|
A:PHE27
|
4.5
|
17.1
|
1.0
|
|
ND2
|
A:ASN329
|
4.5
|
20.1
|
1.0
|
|
CA
|
A:LYS62
|
4.5
|
18.4
|
1.0
|
|
N
|
A:GLY65
|
4.5
|
16.3
|
1.0
|
|
C
|
A:PHE27
|
4.5
|
19.6
|
1.0
|
|
O
|
A:GLU61
|
4.6
|
16.7
|
1.0
|
|
CB
|
A:LYS64
|
4.6
|
24.6
|
1.0
|
|
CD2
|
A:PHE27
|
4.6
|
16.1
|
1.0
|
|
OD1
|
A:ASN329
|
4.7
|
22.6
|
1.0
|
|
CA
|
A:PHE27
|
4.7
|
17.5
|
1.0
|
|
O
|
A:ASP63
|
4.8
|
18.3
|
1.0
|
|
CA
|
A:GLY65
|
4.9
|
15.2
|
1.0
|
|
CG
|
A:ASN329
|
4.9
|
19.1
|
1.0
|
|
CD2
|
A:LEU28
|
5.0
|
24.9
|
1.0
|
|
Calcium binding site 2 out
of 10 in 5lk5
Go back to
Calcium Binding Sites List in 5lk5
Calcium binding site 2 out
of 10 in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
 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 the Globular Domain of Human Calreticulin Mutant D71K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca500
b:18.3
occ:1.00
|
O
|
B:LYS64
|
2.3
|
17.5
|
1.0
|
|
OD1
|
B:ASP328
|
2.3
|
16.4
|
1.0
|
|
OD2
|
B:ASP328
|
2.3
|
16.8
|
1.0
|
|
O
|
B:HOH629
|
2.3
|
11.8
|
1.0
|
|
O
|
B:LYS62
|
2.3
|
17.8
|
1.0
|
|
O
|
B:GLN26
|
2.3
|
24.2
|
1.0
|
|
O
|
B:HOH609
|
2.4
|
23.8
|
1.0
|
|
CG
|
B:ASP328
|
2.5
|
16.1
|
1.0
|
|
C
|
B:LYS64
|
3.4
|
18.1
|
1.0
|
|
C
|
B:GLN26
|
3.5
|
23.1
|
1.0
|
|
C
|
B:LYS62
|
3.5
|
20.3
|
1.0
|
|
N
|
B:LYS64
|
3.8
|
20.4
|
1.0
|
|
CB
|
B:ASP328
|
4.1
|
15.2
|
1.0
|
|
C
|
B:ASP63
|
4.1
|
18.5
|
1.0
|
|
CA
|
B:LYS64
|
4.1
|
20.3
|
1.0
|
|
O
|
B:HOH644
|
4.1
|
16.4
|
1.0
|
|
CA
|
B:GLN26
|
4.1
|
22.8
|
1.0
|
|
CA
|
B:ASP63
|
4.2
|
18.8
|
1.0
|
|
N
|
B:ASP63
|
4.3
|
20.2
|
1.0
|
|
CB
|
B:PHE27
|
4.4
|
18.6
|
1.0
|
|
O
|
B:PHE27
|
4.4
|
24.2
|
1.0
|
|
CB
|
B:GLN26
|
4.4
|
22.7
|
1.0
|
|
ND2
|
B:ASN329
|
4.4
|
20.9
|
1.0
|
|
N
|
B:GLY65
|
4.5
|
17.2
|
1.0
|
|
N
|
B:PHE27
|
4.5
|
22.7
|
1.0
|
|
CD2
|
B:PHE27
|
4.5
|
17.5
|
1.0
|
|
CA
|
B:LYS62
|
4.6
|
21.3
|
1.0
|
|
CB
|
B:LYS64
|
4.6
|
24.5
|
1.0
|
|
C
|
B:PHE27
|
4.6
|
22.8
|
1.0
|
|
O
|
B:GLU61
|
4.6
|
21.8
|
1.0
|
|
OD1
|
B:ASN329
|
4.7
|
21.2
|
1.0
|
|
O
|
B:ASP63
|
4.7
|
19.5
|
1.0
|
|
CA
|
B:PHE27
|
4.8
|
21.9
|
1.0
|
|
O
|
B:HOH618
|
4.8
|
23.1
|
1.0
|
|
CA
|
B:GLY65
|
4.8
|
16.4
|
1.0
|
|
CG
|
B:ASN329
|
4.8
|
19.6
|
1.0
|
|
CG
|
B:PHE27
|
5.0
|
17.3
|
1.0
|
|
Calcium binding site 3 out
of 10 in 5lk5
Go back to
Calcium Binding Sites List in 5lk5
Calcium binding site 3 out
of 10 in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
 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 the Globular Domain of Human Calreticulin Mutant D71K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Ca500
b:14.5
occ:1.00
|
O
|
C:HOH630
|
2.2
|
17.4
|
1.0
|
|
OD2
|
C:ASP328
|
2.3
|
13.0
|
1.0
|
|
O
|
C:LYS62
|
2.3
|
14.8
|
1.0
|
|
OD1
|
C:ASP328
|
2.3
|
14.9
|
1.0
|
|
O
|
C:GLN26
|
2.3
|
15.3
|
1.0
|
|
O
|
C:LYS64
|
2.4
|
14.8
|
1.0
|
|
O
|
C:HOH621
|
2.4
|
17.9
|
1.0
|
|
CG
|
C:ASP328
|
2.5
|
12.9
|
1.0
|
|
C
|
C:GLN26
|
3.5
|
16.9
|
1.0
|
|
C
|
C:LYS64
|
3.5
|
17.6
|
1.0
|
|
C
|
C:LYS62
|
3.5
|
15.9
|
1.0
|
|
N
|
C:LYS64
|
3.8
|
17.5
|
1.0
|
|
CB
|
C:ASP328
|
4.1
|
12.9
|
1.0
|
|
O
|
C:HOH664
|
4.1
|
15.9
|
1.0
|
|
CA
|
C:LYS64
|
4.1
|
19.9
|
1.0
|
|
CA
|
C:GLN26
|
4.1
|
18.1
|
1.0
|
|
C
|
C:ASP63
|
4.1
|
16.6
|
1.0
|
|
CA
|
C:ASP63
|
4.3
|
15.8
|
1.0
|
|
N
|
C:ASP63
|
4.3
|
15.2
|
1.0
|
|
CB
|
C:GLN26
|
4.3
|
18.1
|
1.0
|
|
O
|
C:PHE27
|
4.4
|
16.0
|
1.0
|
|
OD1
|
C:ASN329
|
4.4
|
11.5
|
1.0
|
|
CB
|
C:PHE27
|
4.5
|
17.5
|
1.0
|
|
N
|
C:PHE27
|
4.5
|
16.7
|
1.0
|
|
CA
|
C:LYS62
|
4.6
|
17.0
|
1.0
|
|
N
|
C:GLY65
|
4.6
|
17.8
|
1.0
|
|
C
|
C:PHE27
|
4.6
|
17.6
|
1.0
|
|
CD2
|
C:PHE27
|
4.6
|
17.4
|
1.0
|
|
CB
|
C:LYS64
|
4.6
|
21.9
|
1.0
|
|
O
|
C:GLU61
|
4.7
|
18.2
|
1.0
|
|
O
|
C:HOH697
|
4.7
|
17.9
|
1.0
|
|
ND2
|
C:ASN329
|
4.8
|
12.4
|
1.0
|
|
CA
|
C:PHE27
|
4.8
|
16.4
|
1.0
|
|
O
|
C:ASP63
|
4.8
|
16.6
|
1.0
|
|
CG
|
C:ASN329
|
4.9
|
12.1
|
1.0
|
|
CA
|
C:GLY65
|
4.9
|
17.5
|
1.0
|
|
CD2
|
C:LEU28
|
4.9
|
24.7
|
1.0
|
|
O
|
C:HOH654
|
5.0
|
12.1
|
1.0
|
|
Calcium binding site 4 out
of 10 in 5lk5
Go back to
Calcium Binding Sites List in 5lk5
Calcium binding site 4 out
of 10 in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
 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 the Globular Domain of Human Calreticulin Mutant D71K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca500
b:14.9
occ:1.00
|
O
|
D:HOH636
|
2.3
|
13.3
|
1.0
|
|
OD2
|
D:ASP328
|
2.3
|
15.9
|
1.0
|
|
O
|
D:LYS62
|
2.3
|
15.0
|
1.0
|
|
O
|
D:LYS64
|
2.3
|
15.7
|
1.0
|
|
OD1
|
D:ASP328
|
2.3
|
13.1
|
1.0
|
|
O
|
D:GLN26
|
2.3
|
16.1
|
1.0
|
|
O
|
D:HOH647
|
2.5
|
25.3
|
1.0
|
|
CG
|
D:ASP328
|
2.5
|
13.2
|
1.0
|
|
C
|
D:LYS64
|
3.4
|
15.8
|
1.0
|
|
C
|
D:GLN26
|
3.5
|
16.3
|
1.0
|
|
C
|
D:LYS62
|
3.5
|
14.9
|
1.0
|
|
N
|
D:LYS64
|
3.7
|
15.3
|
1.0
|
|
C
|
D:ASP63
|
4.0
|
14.4
|
1.0
|
|
CA
|
D:LYS64
|
4.1
|
17.0
|
1.0
|
|
CB
|
D:ASP328
|
4.1
|
12.5
|
1.0
|
|
CA
|
D:GLN26
|
4.1
|
17.2
|
1.0
|
|
CA
|
D:ASP63
|
4.2
|
13.8
|
1.0
|
|
O
|
D:HOH671
|
4.3
|
10.9
|
1.0
|
|
N
|
D:ASP63
|
4.3
|
14.1
|
1.0
|
|
CB
|
D:GLN26
|
4.4
|
17.3
|
1.0
|
|
O
|
D:PHE27
|
4.4
|
17.4
|
1.0
|
|
CB
|
D:PHE27
|
4.4
|
16.3
|
1.0
|
|
OD1
|
D:ASN329
|
4.4
|
15.8
|
1.0
|
|
N
|
D:PHE27
|
4.5
|
16.5
|
1.0
|
|
N
|
D:GLY65
|
4.5
|
15.4
|
1.0
|
|
CA
|
D:LYS62
|
4.5
|
15.8
|
1.0
|
|
CD2
|
D:PHE27
|
4.6
|
15.5
|
1.0
|
|
C
|
D:PHE27
|
4.6
|
19.0
|
1.0
|
|
O
|
D:GLU61
|
4.6
|
17.9
|
1.0
|
|
CB
|
D:LYS64
|
4.6
|
20.3
|
1.0
|
|
O
|
D:ASP63
|
4.7
|
15.2
|
1.0
|
|
CA
|
D:PHE27
|
4.8
|
16.7
|
1.0
|
|
ND2
|
D:ASN329
|
4.8
|
14.6
|
1.0
|
|
CA
|
D:GLY65
|
4.9
|
13.6
|
1.0
|
|
CG
|
D:ASN329
|
4.9
|
14.8
|
1.0
|
|
Calcium binding site 5 out
of 10 in 5lk5
Go back to
Calcium Binding Sites List in 5lk5
Calcium binding site 5 out
of 10 in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Ca401
b:18.2
occ:1.00
|
O
|
E:LYS62
|
2.3
|
16.4
|
1.0
|
|
OD2
|
E:ASP328
|
2.3
|
15.7
|
1.0
|
|
O
|
E:LYS64
|
2.3
|
16.6
|
1.0
|
|
OD1
|
E:ASP328
|
2.3
|
15.6
|
1.0
|
|
O
|
E:GLN26
|
2.4
|
17.8
|
1.0
|
|
CG
|
E:ASP328
|
2.5
|
14.8
|
1.0
|
|
O
|
E:HOH529
|
2.5
|
17.3
|
1.0
|
|
O
|
E:HOH533
|
2.5
|
5.6
|
1.0
|
|
C
|
E:LYS64
|
3.4
|
17.5
|
1.0
|
|
C
|
E:LYS62
|
3.5
|
16.8
|
1.0
|
|
C
|
E:GLN26
|
3.5
|
17.6
|
1.0
|
|
N
|
E:LYS64
|
3.8
|
18.8
|
1.0
|
|
C
|
E:ASP63
|
4.0
|
17.5
|
1.0
|
|
CA
|
E:LYS64
|
4.1
|
19.0
|
1.0
|
|
CB
|
E:ASP328
|
4.1
|
13.6
|
1.0
|
|
CA
|
E:ASP63
|
4.2
|
18.4
|
1.0
|
|
CA
|
E:GLN26
|
4.2
|
18.2
|
1.0
|
|
N
|
E:ASP63
|
4.2
|
17.7
|
1.0
|
|
O
|
E:PHE27
|
4.4
|
16.6
|
1.0
|
|
CB
|
E:PHE27
|
4.4
|
15.7
|
1.0
|
|
CB
|
E:GLN26
|
4.4
|
18.3
|
1.0
|
|
OD1
|
E:ASN329
|
4.4
|
12.6
|
1.0
|
|
CA
|
E:LYS62
|
4.5
|
20.1
|
1.0
|
|
N
|
E:GLY65
|
4.5
|
15.5
|
1.0
|
|
N
|
E:PHE27
|
4.6
|
17.4
|
1.0
|
|
CB
|
E:LYS64
|
4.6
|
21.8
|
1.0
|
|
CD2
|
E:PHE27
|
4.6
|
17.2
|
1.0
|
|
O
|
E:GLU61
|
4.6
|
21.4
|
1.0
|
|
C
|
E:PHE27
|
4.7
|
16.4
|
1.0
|
|
O
|
E:ASP63
|
4.7
|
16.8
|
1.0
|
|
ND2
|
E:ASN329
|
4.8
|
11.8
|
1.0
|
|
O
|
E:HOH606
|
4.8
|
22.6
|
1.0
|
|
CA
|
E:PHE27
|
4.8
|
16.4
|
1.0
|
|
CA
|
E:GLY65
|
4.9
|
15.5
|
1.0
|
|
CG
|
E:ASN329
|
4.9
|
12.1
|
1.0
|
|
O
|
E:HOH551
|
4.9
|
12.6
|
1.0
|
|
CD2
|
E:LEU28
|
5.0
|
23.2
|
1.0
|
|
Calcium binding site 6 out
of 10 in 5lk5
Go back to
Calcium Binding Sites List in 5lk5
Calcium binding site 6 out
of 10 in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Ca500
b:14.8
occ:1.00
|
OD2
|
F:ASP328
|
2.3
|
14.3
|
1.0
|
|
O
|
F:LYS62
|
2.3
|
14.8
|
1.0
|
|
O
|
F:LYS64
|
2.3
|
14.3
|
1.0
|
|
OD1
|
F:ASP328
|
2.3
|
13.8
|
1.0
|
|
O
|
F:GLN26
|
2.4
|
16.0
|
1.0
|
|
O
|
F:HOH648
|
2.4
|
7.8
|
1.0
|
|
CG
|
F:ASP328
|
2.5
|
13.0
|
1.0
|
|
O
|
F:HOH634
|
2.6
|
12.2
|
1.0
|
|
C
|
F:LYS64
|
3.4
|
15.1
|
1.0
|
|
C
|
F:GLN26
|
3.5
|
16.2
|
1.0
|
|
C
|
F:LYS62
|
3.5
|
16.3
|
1.0
|
|
N
|
F:LYS64
|
3.8
|
15.2
|
1.0
|
|
C
|
F:ASP63
|
4.1
|
14.7
|
1.0
|
|
CA
|
F:LYS64
|
4.1
|
15.3
|
1.0
|
|
CB
|
F:ASP328
|
4.1
|
13.4
|
1.0
|
|
CA
|
F:GLN26
|
4.2
|
17.1
|
1.0
|
|
CA
|
F:ASP63
|
4.2
|
15.0
|
1.0
|
|
N
|
F:ASP63
|
4.3
|
15.3
|
1.0
|
|
CB
|
F:GLN26
|
4.4
|
18.9
|
1.0
|
|
O
|
F:PHE27
|
4.4
|
16.2
|
1.0
|
|
OD1
|
F:ASN329
|
4.4
|
12.6
|
1.0
|
|
CB
|
F:PHE27
|
4.4
|
16.4
|
1.0
|
|
N
|
F:GLY65
|
4.5
|
14.2
|
1.0
|
|
N
|
F:PHE27
|
4.5
|
16.2
|
1.0
|
|
CA
|
F:LYS62
|
4.6
|
18.0
|
1.0
|
|
CD2
|
F:PHE27
|
4.6
|
16.4
|
1.0
|
|
CB
|
F:LYS64
|
4.6
|
17.6
|
1.0
|
|
O
|
F:GLU61
|
4.6
|
19.1
|
1.0
|
|
O
|
F:HOH635
|
4.7
|
16.2
|
1.0
|
|
O
|
F:HOH623
|
4.7
|
16.2
|
1.0
|
|
C
|
F:PHE27
|
4.7
|
17.2
|
1.0
|
|
O
|
F:ASP63
|
4.7
|
15.9
|
1.0
|
|
ND2
|
F:ASN329
|
4.8
|
12.6
|
1.0
|
|
CA
|
F:PHE27
|
4.8
|
16.8
|
1.0
|
|
CA
|
F:GLY65
|
4.8
|
15.1
|
1.0
|
|
CG
|
F:ASN329
|
4.9
|
13.3
|
1.0
|
|
CD2
|
F:LEU28
|
5.0
|
21.0
|
1.0
|
|
Calcium binding site 7 out
of 10 in 5lk5
Go back to
Calcium Binding Sites List in 5lk5
Calcium binding site 7 out
of 10 in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Ca401
b:14.5
occ:1.00
|
O
|
G:HOH524
|
2.2
|
12.9
|
1.0
|
|
O
|
G:GLN26
|
2.3
|
15.4
|
1.0
|
|
OD2
|
G:ASP328
|
2.3
|
12.9
|
1.0
|
|
O
|
G:LYS62
|
2.3
|
14.9
|
1.0
|
|
OD1
|
G:ASP328
|
2.3
|
14.2
|
1.0
|
|
O
|
G:LYS64
|
2.4
|
14.4
|
1.0
|
|
O
|
G:HOH518
|
2.5
|
17.9
|
1.0
|
|
CG
|
G:ASP328
|
2.5
|
12.5
|
1.0
|
|
C
|
G:GLN26
|
3.4
|
15.7
|
1.0
|
|
C
|
G:LYS64
|
3.5
|
16.1
|
1.0
|
|
C
|
G:LYS62
|
3.5
|
17.2
|
1.0
|
|
N
|
G:LYS64
|
3.9
|
16.0
|
1.0
|
|
O
|
G:HOH548
|
4.0
|
10.5
|
1.0
|
|
CB
|
G:ASP328
|
4.1
|
12.2
|
1.0
|
|
CA
|
G:GLN26
|
4.1
|
16.1
|
1.0
|
|
CA
|
G:LYS64
|
4.2
|
17.9
|
1.0
|
|
C
|
G:ASP63
|
4.2
|
16.6
|
1.0
|
|
CB
|
G:GLN26
|
4.3
|
16.4
|
1.0
|
|
CA
|
G:ASP63
|
4.3
|
16.2
|
1.0
|
|
N
|
G:ASP63
|
4.3
|
17.2
|
1.0
|
|
O
|
G:PHE27
|
4.3
|
16.3
|
1.0
|
|
OD1
|
G:ASN329
|
4.4
|
12.3
|
1.0
|
|
CB
|
G:PHE27
|
4.5
|
14.6
|
1.0
|
|
N
|
G:PHE27
|
4.5
|
14.8
|
1.0
|
|
CA
|
G:LYS62
|
4.5
|
18.3
|
1.0
|
|
C
|
G:PHE27
|
4.6
|
16.4
|
1.0
|
|
N
|
G:GLY65
|
4.6
|
16.6
|
1.0
|
|
CD2
|
G:PHE27
|
4.6
|
15.3
|
1.0
|
|
O
|
G:GLU61
|
4.7
|
17.8
|
1.0
|
|
CB
|
G:LYS64
|
4.7
|
21.0
|
1.0
|
|
ND2
|
G:ASN329
|
4.7
|
11.4
|
1.0
|
|
CA
|
G:PHE27
|
4.8
|
15.0
|
1.0
|
|
CG
|
G:ASN329
|
4.8
|
12.3
|
1.0
|
|
O
|
G:ASP63
|
4.8
|
16.4
|
1.0
|
|
O
|
G:HOH596
|
4.9
|
19.7
|
1.0
|
|
CD2
|
G:LEU28
|
4.9
|
21.4
|
1.0
|
|
CA
|
G:GLY65
|
4.9
|
16.8
|
1.0
|
|
N
|
G:ASN329
|
5.0
|
11.7
|
1.0
|
|
Calcium binding site 8 out
of 10 in 5lk5
Go back to
Calcium Binding Sites List in 5lk5
Calcium binding site 8 out
of 10 in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Ca500
b:26.2
occ:1.00
|
O
|
H:LYS64
|
2.3
|
21.9
|
1.0
|
|
O
|
H:HOH628
|
2.3
|
17.3
|
1.0
|
|
OD2
|
H:ASP328
|
2.3
|
25.4
|
1.0
|
|
OD1
|
H:ASP328
|
2.3
|
24.3
|
1.0
|
|
O
|
H:GLN26
|
2.3
|
24.6
|
1.0
|
|
O
|
H:LYS62
|
2.3
|
25.1
|
1.0
|
|
O
|
H:HOH630
|
2.4
|
22.6
|
1.0
|
|
CG
|
H:ASP328
|
2.5
|
24.4
|
1.0
|
|
C
|
H:LYS64
|
3.4
|
23.1
|
1.0
|
|
C
|
H:GLN26
|
3.4
|
25.2
|
1.0
|
|
C
|
H:LYS62
|
3.5
|
27.5
|
1.0
|
|
N
|
H:LYS64
|
3.7
|
25.7
|
1.0
|
|
CA
|
H:LYS64
|
4.1
|
25.6
|
1.0
|
|
C
|
H:ASP63
|
4.1
|
23.9
|
1.0
|
|
CB
|
H:ASP328
|
4.1
|
21.7
|
1.0
|
|
CA
|
H:GLN26
|
4.2
|
27.3
|
1.0
|
|
O
|
H:HOH655
|
4.2
|
22.2
|
1.0
|
|
CA
|
H:ASP63
|
4.3
|
23.0
|
1.0
|
|
N
|
H:ASP63
|
4.3
|
23.8
|
1.0
|
|
O
|
H:PHE27
|
4.3
|
29.7
|
1.0
|
|
CB
|
H:PHE27
|
4.4
|
25.7
|
1.0
|
|
CB
|
H:GLN26
|
4.4
|
25.4
|
1.0
|
|
N
|
H:PHE27
|
4.5
|
25.3
|
1.0
|
|
N
|
H:GLY65
|
4.5
|
20.4
|
1.0
|
|
OD1
|
H:ASN329
|
4.5
|
32.3
|
1.0
|
|
CD2
|
H:PHE27
|
4.5
|
26.0
|
1.0
|
|
C
|
H:PHE27
|
4.5
|
28.0
|
1.0
|
|
CA
|
H:LYS62
|
4.6
|
28.9
|
1.0
|
|
CB
|
H:LYS64
|
4.6
|
28.2
|
1.0
|
|
O
|
H:GLU61
|
4.6
|
22.8
|
1.0
|
|
O
|
H:HOH670
|
4.7
|
16.9
|
1.0
|
|
CA
|
H:PHE27
|
4.7
|
25.8
|
1.0
|
|
O
|
H:ASP63
|
4.7
|
24.4
|
1.0
|
|
CA
|
H:GLY65
|
4.8
|
19.5
|
1.0
|
|
ND2
|
H:ASN329
|
4.8
|
34.5
|
1.0
|
|
CG
|
H:ASN329
|
4.9
|
32.9
|
1.0
|
|
CG
|
H:PHE27
|
5.0
|
25.9
|
1.0
|
|
CD2
|
H:LEU28
|
5.0
|
36.1
|
1.0
|
|
Calcium binding site 9 out
of 10 in 5lk5
Go back to
Calcium Binding Sites List in 5lk5
Calcium binding site 9 out
of 10 in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Ca500
b:20.2
occ:1.00
|
O
|
I:HOH637
|
2.3
|
14.7
|
1.0
|
|
OD2
|
I:ASP328
|
2.3
|
18.4
|
1.0
|
|
O
|
I:LYS62
|
2.3
|
17.1
|
1.0
|
|
O
|
I:GLN26
|
2.3
|
18.5
|
1.0
|
|
O
|
I:LYS64
|
2.4
|
17.8
|
1.0
|
|
OD1
|
I:ASP328
|
2.4
|
19.1
|
1.0
|
|
CG
|
I:ASP328
|
2.5
|
18.1
|
1.0
|
|
O
|
I:HOH634
|
2.6
|
17.2
|
1.0
|
|
C
|
I:LYS62
|
3.5
|
18.4
|
1.0
|
|
C
|
I:GLN26
|
3.5
|
19.1
|
1.0
|
|
C
|
I:LYS64
|
3.5
|
17.4
|
1.0
|
|
N
|
I:LYS64
|
3.8
|
18.8
|
1.0
|
|
CB
|
I:ASP328
|
4.1
|
17.4
|
1.0
|
|
C
|
I:ASP63
|
4.1
|
18.6
|
1.0
|
|
CA
|
I:LYS64
|
4.1
|
19.4
|
1.0
|
|
CA
|
I:GLN26
|
4.1
|
21.0
|
1.0
|
|
CA
|
I:ASP63
|
4.2
|
19.6
|
1.0
|
|
N
|
I:ASP63
|
4.2
|
18.3
|
1.0
|
|
CB
|
I:GLN26
|
4.4
|
21.3
|
1.0
|
|
O
|
I:PHE27
|
4.4
|
16.9
|
1.0
|
|
ND2
|
I:ASN329
|
4.4
|
17.4
|
1.0
|
|
CB
|
I:PHE27
|
4.4
|
16.5
|
1.0
|
|
CA
|
I:LYS62
|
4.5
|
20.7
|
1.0
|
|
N
|
I:PHE27
|
4.5
|
18.1
|
1.0
|
|
N
|
I:GLY65
|
4.6
|
15.4
|
1.0
|
|
CD2
|
I:PHE27
|
4.6
|
16.5
|
1.0
|
|
CB
|
I:LYS64
|
4.6
|
20.7
|
1.0
|
|
C
|
I:PHE27
|
4.7
|
16.9
|
1.0
|
|
OD1
|
I:ASN329
|
4.7
|
20.4
|
1.0
|
|
O
|
I:GLU61
|
4.7
|
23.0
|
1.0
|
|
O
|
I:ASP63
|
4.8
|
16.8
|
1.0
|
|
CA
|
I:PHE27
|
4.8
|
17.2
|
1.0
|
|
CG
|
I:ASN329
|
4.8
|
18.7
|
1.0
|
|
CA
|
I:GLY65
|
4.9
|
15.0
|
1.0
|
|
O
|
I:HOH622
|
4.9
|
13.8
|
1.0
|
|
CD2
|
I:LEU28
|
5.0
|
23.4
|
1.0
|
|
Calcium binding site 10 out
of 10 in 5lk5
Go back to
Calcium Binding Sites List in 5lk5
Calcium binding site 10 out
of 10 in the Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Crystal Structure of the Globular Domain of Human Calreticulin Mutant D71K within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Ca500
b:18.5
occ:1.00
|
OD2
|
J:ASP328
|
2.3
|
17.3
|
1.0
|
|
OD1
|
J:ASP328
|
2.3
|
17.6
|
1.0
|
|
O
|
J:LYS62
|
2.3
|
18.6
|
1.0
|
|
O
|
J:LYS64
|
2.3
|
18.6
|
1.0
|
|
O
|
J:GLN26
|
2.4
|
19.1
|
1.0
|
|
O
|
J:HOH636
|
2.4
|
7.9
|
1.0
|
|
CG
|
J:ASP328
|
2.5
|
16.2
|
1.0
|
|
O
|
J:HOH639
|
2.7
|
12.4
|
1.0
|
|
C
|
J:LYS64
|
3.5
|
18.6
|
1.0
|
|
C
|
J:GLN26
|
3.5
|
18.0
|
1.0
|
|
C
|
J:LYS62
|
3.5
|
19.5
|
1.0
|
|
N
|
J:LYS64
|
3.8
|
19.6
|
1.0
|
|
CB
|
J:ASP328
|
4.1
|
16.6
|
1.0
|
|
CA
|
J:GLN26
|
4.1
|
18.1
|
1.0
|
|
C
|
J:ASP63
|
4.1
|
18.1
|
1.0
|
|
CA
|
J:LYS64
|
4.1
|
20.6
|
1.0
|
|
O
|
J:HOH641
|
4.2
|
19.6
|
1.0
|
|
CA
|
J:ASP63
|
4.2
|
18.0
|
1.0
|
|
N
|
J:ASP63
|
4.3
|
17.7
|
1.0
|
|
CB
|
J:GLN26
|
4.4
|
18.7
|
1.0
|
|
OD1
|
J:ASN329
|
4.4
|
17.8
|
1.0
|
|
O
|
J:PHE27
|
4.4
|
21.3
|
1.0
|
|
CB
|
J:PHE27
|
4.5
|
16.6
|
1.0
|
|
N
|
J:PHE27
|
4.5
|
18.4
|
1.0
|
|
N
|
J:GLY65
|
4.6
|
17.0
|
1.0
|
|
CA
|
J:LYS62
|
4.6
|
20.1
|
1.0
|
|
CD2
|
J:PHE27
|
4.6
|
17.7
|
1.0
|
|
CB
|
J:LYS64
|
4.6
|
24.3
|
1.0
|
|
O
|
J:GLU61
|
4.7
|
20.0
|
1.0
|
|
ND2
|
J:ASN329
|
4.7
|
18.4
|
1.0
|
|
C
|
J:PHE27
|
4.7
|
19.7
|
1.0
|
|
O
|
J:ASP63
|
4.8
|
19.3
|
1.0
|
|
CG
|
J:ASN329
|
4.8
|
17.6
|
1.0
|
|
CA
|
J:PHE27
|
4.8
|
18.4
|
1.0
|
|
CA
|
J:GLY65
|
4.9
|
16.5
|
1.0
|
|
O
|
J:HOH656
|
5.0
|
24.0
|
1.0
|
|
CD2
|
J:LEU28
|
5.0
|
23.5
|
1.0
|
|
Reference:
C.Moreau,
G.Cioci,
M.Iannello,
E.Laffly,
A.Chouquet,
A.Ferreira,
N.M.Thielens,
C.Gaboriaud.
Structures of Parasite Calreticulins Provide Insights Into Their Flexibility and Dual Carbohydrate/Peptide-Binding Properties. Iucrj V. 3 408 2016.
ISSN: ESSN 2052-2525
PubMed: 27840680
DOI: 10.1107/S2052252516012847
Page generated: Mon Jul 15 07:41:44 2024
|
