Calcium in PDB 3bow: Structure of M-Calpain in Complex with Calpastatin
Enzymatic activity of Structure of M-Calpain in Complex with Calpastatin
All present enzymatic activity of Structure of M-Calpain in Complex with Calpastatin:
3.4.22.53;
Protein crystallography data
The structure of Structure of M-Calpain in Complex with Calpastatin, PDB code: 3bow
was solved by
R.A.Hanna,
R.L.Campbell,
P.L.Davies,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
66.23 /
2.40
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
67.477,
66.985,
108.656,
90.00,
100.76,
90.00
|
|
R / Rfree (%)
|
19.8 /
25.8
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Structure of M-Calpain in Complex with Calpastatin
(pdb code 3bow). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 10 binding sites of Calcium where determined in the
Structure of M-Calpain in Complex with Calpastatin, PDB code: 3bow:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Calcium binding site 1 out
of 10 in 3bow
Go back to
Calcium Binding Sites List in 3bow
Calcium binding site 1 out
of 10 in the Structure of M-Calpain in Complex with Calpastatin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Structure of M-Calpain in Complex with Calpastatin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca715
b:8.2
occ:1.00
|
O
|
A:ILE89
|
2.3
|
6.5
|
1.0
|
|
OD2
|
A:ASP96
|
2.3
|
7.2
|
1.0
|
|
OE2
|
A:GLU175
|
2.3
|
7.7
|
1.0
|
|
O
|
A:GLY91
|
2.3
|
4.8
|
1.0
|
|
O
|
A:HOH753
|
2.4
|
8.9
|
1.0
|
|
OD1
|
A:ASP96
|
2.4
|
7.0
|
1.0
|
|
O
|
A:HOH742
|
2.4
|
9.6
|
1.0
|
|
OE1
|
A:GLU175
|
2.4
|
8.0
|
1.0
|
|
CG
|
A:ASP96
|
2.7
|
6.0
|
1.0
|
|
CD
|
A:GLU175
|
2.7
|
7.5
|
1.0
|
|
C
|
A:ILE89
|
3.5
|
5.9
|
1.0
|
|
C
|
A:GLY91
|
3.6
|
4.0
|
1.0
|
|
CB
|
A:ASP96
|
4.1
|
5.3
|
1.0
|
|
C
|
A:GLY90
|
4.2
|
4.3
|
1.0
|
|
N
|
A:ILE89
|
4.2
|
6.7
|
1.0
|
|
CG
|
A:GLU175
|
4.2
|
7.2
|
1.0
|
|
N
|
A:GLY91
|
4.3
|
4.0
|
1.0
|
|
OG1
|
A:THR93
|
4.3
|
4.1
|
1.0
|
|
N
|
A:THR93
|
4.4
|
3.9
|
1.0
|
|
O
|
A:GLY90
|
4.4
|
4.0
|
1.0
|
|
N
|
A:GLY90
|
4.4
|
5.5
|
1.0
|
|
CA
|
A:GLY90
|
4.5
|
4.8
|
1.0
|
|
CA
|
A:ILE89
|
4.5
|
6.4
|
1.0
|
|
N
|
A:ALA92
|
4.5
|
3.8
|
1.0
|
|
CA
|
A:GLY91
|
4.5
|
3.8
|
1.0
|
|
CA
|
A:ALA92
|
4.6
|
4.0
|
1.0
|
|
NE1
|
A:TRP177
|
4.6
|
4.3
|
1.0
|
|
OG
|
A:SER170
|
4.8
|
5.0
|
1.0
|
|
CG2
|
A:ILE89
|
4.9
|
6.3
|
1.0
|
|
Calcium binding site 2 out
of 10 in 3bow
Go back to
Calcium Binding Sites List in 3bow
Calcium binding site 2 out
of 10 in the Structure of M-Calpain in Complex with Calpastatin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Structure of M-Calpain in Complex with Calpastatin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca716
b:6.7
occ:1.00
|
O
|
A:GLU323
|
2.3
|
4.8
|
1.0
|
|
O
|
A:GLN319
|
2.3
|
8.5
|
1.0
|
|
OD2
|
A:ASP299
|
2.3
|
7.7
|
1.0
|
|
O
|
A:HOH835
|
2.3
|
7.3
|
1.0
|
|
OE2
|
A:GLU292
|
2.3
|
4.7
|
1.0
|
|
OD1
|
A:ASP321
|
2.4
|
8.2
|
1.0
|
|
OE1
|
A:GLU292
|
2.4
|
5.2
|
1.0
|
|
CD
|
A:GLU292
|
2.7
|
3.0
|
1.0
|
|
CG
|
A:ASP299
|
3.1
|
8.1
|
1.0
|
|
OD1
|
A:ASP299
|
3.2
|
9.5
|
1.0
|
|
C
|
A:GLU323
|
3.4
|
4.7
|
1.0
|
|
CG
|
A:ASP321
|
3.5
|
8.9
|
1.0
|
|
C
|
A:GLN319
|
3.5
|
9.7
|
1.0
|
|
N
|
A:ASP321
|
4.0
|
8.5
|
1.0
|
|
N
|
A:GLU323
|
4.0
|
5.2
|
1.0
|
|
OD2
|
A:ASP321
|
4.0
|
9.8
|
1.0
|
|
CA
|
A:GLU323
|
4.2
|
5.5
|
1.0
|
|
CG
|
A:GLU292
|
4.2
|
2.9
|
1.0
|
|
CA
|
A:GLN319
|
4.4
|
10.3
|
1.0
|
|
N
|
A:GLN319
|
4.4
|
10.7
|
1.0
|
|
N
|
A:PHE324
|
4.5
|
4.3
|
1.0
|
|
CB
|
A:GLN319
|
4.5
|
10.7
|
1.0
|
|
CB
|
A:ASP299
|
4.5
|
6.5
|
1.0
|
|
N
|
A:GLU320
|
4.5
|
9.1
|
1.0
|
|
O
|
A:HOH738
|
4.5
|
2.6
|
1.0
|
|
O
|
A:GLU317
|
4.6
|
12.9
|
1.0
|
|
CB
|
A:GLU323
|
4.7
|
5.4
|
1.0
|
|
CA
|
A:GLU320
|
4.7
|
8.8
|
1.0
|
|
CB
|
A:ASP321
|
4.7
|
8.4
|
1.0
|
|
N
|
A:GLY322
|
4.7
|
7.3
|
1.0
|
|
CA
|
A:PHE324
|
4.7
|
4.5
|
1.0
|
|
CA
|
A:ASP321
|
4.7
|
8.2
|
1.0
|
|
C
|
A:GLU320
|
4.8
|
8.6
|
1.0
|
|
C
|
A:GLY322
|
4.9
|
5.7
|
1.0
|
|
C
|
A:ASP321
|
4.9
|
7.7
|
1.0
|
|
Calcium binding site 3 out
of 10 in 3bow
Go back to
Calcium Binding Sites List in 3bow
Calcium binding site 3 out
of 10 in the Structure of M-Calpain in Complex with Calpastatin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Structure of M-Calpain in Complex with Calpastatin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca717
b:15.5
occ:1.00
|
O
|
A:GLU547
|
2.3
|
12.3
|
1.0
|
|
O
|
A:ALA542
|
2.3
|
13.5
|
1.0
|
|
OD1
|
A:ASP545
|
2.3
|
16.0
|
1.0
|
|
O
|
A:HOH741
|
2.3
|
14.2
|
1.0
|
|
OE2
|
A:GLU552
|
2.3
|
14.3
|
1.0
|
|
OE1
|
A:GLU552
|
2.4
|
14.5
|
1.0
|
|
CD
|
A:GLU552
|
2.7
|
12.8
|
1.0
|
|
CG
|
A:ASP545
|
3.4
|
15.0
|
1.0
|
|
C
|
A:ALA542
|
3.4
|
12.9
|
1.0
|
|
C
|
A:GLU547
|
3.5
|
11.4
|
1.0
|
|
OD2
|
A:ASP545
|
3.7
|
16.2
|
1.0
|
|
CA
|
A:ALA542
|
4.1
|
12.3
|
1.0
|
|
CG
|
A:GLU552
|
4.2
|
12.7
|
1.0
|
|
N
|
A:GLU547
|
4.2
|
12.2
|
1.0
|
|
N
|
A:ILE548
|
4.4
|
10.4
|
1.0
|
|
CA
|
A:ILE548
|
4.4
|
9.4
|
1.0
|
|
CA
|
A:GLU547
|
4.4
|
11.9
|
1.0
|
|
N
|
A:GLY543
|
4.5
|
13.3
|
1.0
|
|
N
|
A:SER549
|
4.6
|
9.5
|
1.0
|
|
N
|
A:ASP545
|
4.6
|
14.6
|
1.0
|
|
CB
|
A:ASP545
|
4.7
|
14.6
|
1.0
|
|
CB
|
A:ALA542
|
4.7
|
12.1
|
1.0
|
|
CA
|
A:GLY543
|
4.8
|
13.7
|
1.0
|
|
O
|
A:HOH866
|
4.8
|
26.4
|
1.0
|
|
C
|
A:GLY543
|
4.8
|
14.2
|
1.0
|
|
C
|
A:ILE548
|
5.0
|
9.4
|
1.0
|
|
CA
|
A:ASP545
|
5.0
|
14.4
|
1.0
|
|
N
|
A:ALA546
|
5.0
|
13.6
|
1.0
|
|
CB
|
A:GLU547
|
5.0
|
11.9
|
1.0
|
|
Calcium binding site 4 out
of 10 in 3bow
Go back to
Calcium Binding Sites List in 3bow
Calcium binding site 4 out
of 10 in the Structure of M-Calpain in Complex with Calpastatin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Structure of M-Calpain in Complex with Calpastatin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca718
b:19.9
occ:1.00
|
OD1
|
A:ASP585
|
2.3
|
19.9
|
1.0
|
|
OE1
|
A:GLU596
|
2.3
|
16.7
|
1.0
|
|
O
|
A:LYS591
|
2.3
|
15.8
|
1.0
|
|
OD1
|
A:ASP587
|
2.3
|
20.6
|
1.0
|
|
OG
|
A:SER589
|
2.3
|
19.3
|
1.0
|
|
CD
|
A:GLU596
|
3.1
|
11.8
|
1.0
|
|
OE2
|
A:GLU596
|
3.1
|
14.8
|
1.0
|
|
CG
|
A:ASP587
|
3.3
|
22.5
|
1.0
|
|
CB
|
A:SER589
|
3.5
|
19.4
|
1.0
|
|
CG
|
A:ASP585
|
3.5
|
21.4
|
1.0
|
|
C
|
A:LYS591
|
3.5
|
14.4
|
1.0
|
|
OD2
|
A:ASP587
|
3.6
|
22.0
|
1.0
|
|
OE2
|
A:GLU547
|
3.8
|
15.3
|
1.0
|
|
N
|
A:GLY593
|
4.0
|
9.8
|
1.0
|
|
O
|
A:ASP587
|
4.2
|
23.4
|
1.0
|
|
CA
|
A:ASP585
|
4.2
|
22.7
|
1.0
|
|
N
|
A:SER589
|
4.3
|
20.1
|
1.0
|
|
CB
|
A:ASP585
|
4.3
|
22.3
|
1.0
|
|
CA
|
A:LEU592
|
4.3
|
11.6
|
1.0
|
|
N
|
A:LYS591
|
4.3
|
15.8
|
1.0
|
|
N
|
A:LEU592
|
4.4
|
13.0
|
1.0
|
|
CA
|
A:SER589
|
4.4
|
19.3
|
1.0
|
|
OD2
|
A:ASP585
|
4.4
|
21.6
|
1.0
|
|
CG
|
A:GLU596
|
4.5
|
9.1
|
1.0
|
|
CA
|
A:LYS591
|
4.6
|
15.0
|
1.0
|
|
C
|
A:ASP585
|
4.6
|
23.0
|
1.0
|
|
C
|
A:LEU592
|
4.6
|
10.7
|
1.0
|
|
N
|
A:GLY590
|
4.7
|
18.1
|
1.0
|
|
C
|
A:ASP587
|
4.7
|
22.8
|
1.0
|
|
CB
|
A:ASP587
|
4.7
|
23.0
|
1.0
|
|
N
|
A:GLU586
|
4.8
|
23.3
|
1.0
|
|
N
|
A:ASP587
|
4.8
|
23.3
|
1.0
|
|
C
|
A:SER589
|
4.9
|
18.8
|
1.0
|
|
CA
|
A:GLY593
|
5.0
|
8.8
|
1.0
|
|
CD
|
A:GLU547
|
5.0
|
14.8
|
1.0
|
|
Calcium binding site 5 out
of 10 in 3bow
Go back to
Calcium Binding Sites List in 3bow
Calcium binding site 5 out
of 10 in the Structure of M-Calpain in Complex with Calpastatin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Structure of M-Calpain in Complex with Calpastatin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca719
b:11.1
occ:1.00
|
OD1
|
A:ASP617
|
2.3
|
11.6
|
1.0
|
|
OD1
|
A:ASP615
|
2.3
|
9.9
|
1.0
|
|
OE1
|
A:GLU626
|
2.3
|
10.5
|
1.0
|
|
O
|
A:THR621
|
2.3
|
9.3
|
1.0
|
|
OG
|
A:SER619
|
2.4
|
10.1
|
1.0
|
|
OE2
|
A:GLU626
|
2.4
|
10.1
|
1.0
|
|
CD
|
A:GLU626
|
2.7
|
9.2
|
1.0
|
|
OD2
|
A:ASP617
|
3.0
|
13.2
|
1.0
|
|
CG
|
A:ASP617
|
3.0
|
12.2
|
1.0
|
|
CG
|
A:ASP615
|
3.5
|
9.8
|
1.0
|
|
C
|
A:THR621
|
3.5
|
8.4
|
1.0
|
|
CB
|
A:SER619
|
3.6
|
9.0
|
1.0
|
|
N
|
A:SER619
|
4.1
|
10.6
|
1.0
|
|
OG1
|
A:THR621
|
4.2
|
8.1
|
1.0
|
|
CG
|
A:GLU626
|
4.2
|
8.6
|
1.0
|
|
OD2
|
A:ASP615
|
4.3
|
6.3
|
1.0
|
|
N
|
A:THR621
|
4.3
|
8.1
|
1.0
|
|
N
|
A:ASN623
|
4.4
|
7.0
|
1.0
|
|
CA
|
A:ASP615
|
4.4
|
11.3
|
1.0
|
|
N
|
A:MET622
|
4.4
|
8.2
|
1.0
|
|
CA
|
A:SER619
|
4.4
|
9.6
|
1.0
|
|
CA
|
A:MET622
|
4.4
|
7.5
|
1.0
|
|
CB
|
A:ASP617
|
4.4
|
11.9
|
1.0
|
|
CA
|
A:THR621
|
4.5
|
8.2
|
1.0
|
|
CB
|
A:ASP615
|
4.5
|
10.9
|
1.0
|
|
N
|
A:ASP617
|
4.6
|
12.1
|
1.0
|
|
ND2
|
A:ASN623
|
4.7
|
3.4
|
1.0
|
|
C
|
A:ASP615
|
4.7
|
11.5
|
1.0
|
|
N
|
A:VAL616
|
4.7
|
12.0
|
1.0
|
|
CE
|
A:MET622
|
4.8
|
6.7
|
1.0
|
|
C
|
A:MET622
|
4.8
|
7.3
|
1.0
|
|
N
|
A:ARG618
|
4.8
|
12.1
|
1.0
|
|
N
|
A:GLY620
|
4.8
|
8.4
|
1.0
|
|
CA
|
A:ASP617
|
5.0
|
12.0
|
1.0
|
|
C
|
A:SER619
|
5.0
|
9.0
|
1.0
|
|
Calcium binding site 6 out
of 10 in 3bow
Go back to
Calcium Binding Sites List in 3bow
Calcium binding site 6 out
of 10 in the Structure of M-Calpain in Complex with Calpastatin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Structure of M-Calpain in Complex with Calpastatin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca720
b:33.3
occ:1.00
|
OD1
|
A:ASN661
|
2.3
|
27.7
|
1.0
|
|
OD1
|
A:ASP658
|
2.9
|
11.6
|
1.0
|
|
OD2
|
A:ASP658
|
3.0
|
11.8
|
1.0
|
|
O
|
A:HOH838
|
3.1
|
60.1
|
1.0
|
|
CG
|
A:ASP658
|
3.3
|
10.6
|
1.0
|
|
CG
|
A:ASN661
|
3.5
|
17.3
|
1.0
|
|
CB
|
A:ASP660
|
3.7
|
13.8
|
1.0
|
|
OD2
|
A:ASP660
|
3.9
|
21.0
|
1.0
|
|
CG
|
A:ASP660
|
4.0
|
16.5
|
1.0
|
|
CB
|
A:ASP570
|
4.2
|
17.5
|
1.0
|
|
ND2
|
A:ASN661
|
4.3
|
18.1
|
1.0
|
|
N
|
A:ASN661
|
4.4
|
13.2
|
1.0
|
|
N
|
A:ASP570
|
4.6
|
17.1
|
1.0
|
|
CB
|
A:ASN661
|
4.6
|
14.5
|
1.0
|
|
CA
|
A:ASP660
|
4.8
|
13.2
|
1.0
|
|
CB
|
A:ASP658
|
4.9
|
9.4
|
1.0
|
|
OD1
|
A:ASP660
|
4.9
|
19.1
|
1.0
|
|
OD2
|
B:ASP144
|
4.9
|
19.3
|
1.0
|
|
CA
|
A:ASP570
|
5.0
|
17.5
|
1.0
|
|
C
|
A:ASP660
|
5.0
|
13.1
|
1.0
|
|
Calcium binding site 7 out
of 10 in 3bow
Go back to
Calcium Binding Sites List in 3bow
Calcium binding site 7 out
of 10 in the Structure of M-Calpain in Complex with Calpastatin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Structure of M-Calpain in Complex with Calpastatin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca401
b:17.7
occ:1.00
|
O
|
B:HOH1
|
2.3
|
18.0
|
1.0
|
|
O
|
B:ALA111
|
2.3
|
16.6
|
1.0
|
|
O
|
B:GLU116
|
2.3
|
15.6
|
1.0
|
|
O
|
B:HOH408
|
2.3
|
17.9
|
1.0
|
|
OE1
|
B:GLU121
|
2.4
|
15.8
|
1.0
|
|
OD1
|
B:ASP114
|
2.4
|
17.2
|
1.0
|
|
OE2
|
B:GLU121
|
2.4
|
16.4
|
1.0
|
|
CD
|
B:GLU121
|
2.7
|
13.0
|
1.0
|
|
CG
|
B:ASP114
|
3.2
|
17.4
|
1.0
|
|
OD2
|
B:ASP114
|
3.4
|
17.9
|
1.0
|
|
C
|
B:ALA111
|
3.5
|
16.8
|
1.0
|
|
C
|
B:GLU116
|
3.5
|
14.8
|
1.0
|
|
CG
|
B:GLU121
|
4.2
|
12.8
|
1.0
|
|
CA
|
B:ALA111
|
4.2
|
16.9
|
1.0
|
|
N
|
B:GLU116
|
4.4
|
15.7
|
1.0
|
|
N
|
B:SER118
|
4.4
|
12.8
|
1.0
|
|
CA
|
B:VAL117
|
4.4
|
13.5
|
1.0
|
|
N
|
B:VAL117
|
4.4
|
14.3
|
1.0
|
|
N
|
B:GLY112
|
4.5
|
16.9
|
1.0
|
|
CA
|
B:GLU116
|
4.5
|
14.9
|
1.0
|
|
CA
|
B:GLY112
|
4.7
|
16.9
|
1.0
|
|
CB
|
B:ASP114
|
4.7
|
16.9
|
1.0
|
|
N
|
B:ASP114
|
4.7
|
17.3
|
1.0
|
|
OD1
|
B:ASP113
|
4.8
|
16.7
|
1.0
|
|
OG
|
B:SER118
|
4.8
|
12.5
|
1.0
|
|
C
|
B:GLY112
|
4.9
|
16.8
|
1.0
|
|
C
|
B:VAL117
|
4.9
|
13.2
|
1.0
|
|
CB
|
B:ALA111
|
4.9
|
16.6
|
1.0
|
|
Calcium binding site 8 out
of 10 in 3bow
Go back to
Calcium Binding Sites List in 3bow
Calcium binding site 8 out
of 10 in the Structure of M-Calpain in Complex with Calpastatin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Structure of M-Calpain in Complex with Calpastatin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca402
b:15.1
occ:1.00
|
OD1
|
B:ASP154
|
2.3
|
13.2
|
1.0
|
|
O
|
B:HOH417
|
2.3
|
15.9
|
1.0
|
|
O
|
B:LYS160
|
2.3
|
12.5
|
1.0
|
|
OE1
|
B:GLU165
|
2.3
|
14.4
|
1.0
|
|
OD1
|
B:ASP156
|
2.3
|
13.6
|
1.0
|
|
OG1
|
B:THR158
|
2.3
|
12.3
|
1.0
|
|
OE2
|
B:GLU165
|
3.0
|
13.9
|
1.0
|
|
CD
|
B:GLU165
|
3.0
|
11.8
|
1.0
|
|
CG
|
B:ASP156
|
3.4
|
11.4
|
1.0
|
|
CG
|
B:ASP154
|
3.5
|
12.8
|
1.0
|
|
C
|
B:LYS160
|
3.5
|
11.6
|
1.0
|
|
CB
|
B:THR158
|
3.7
|
10.7
|
1.0
|
|
OD2
|
B:ASP156
|
3.8
|
12.0
|
1.0
|
|
N
|
B:GLY162
|
4.0
|
10.6
|
1.0
|
|
N
|
B:THR158
|
4.0
|
10.3
|
1.0
|
|
CA
|
B:LEU161
|
4.2
|
11.3
|
1.0
|
|
CA
|
B:ASP154
|
4.2
|
12.8
|
1.0
|
|
CG2
|
B:THR158
|
4.2
|
10.0
|
1.0
|
|
OE2
|
B:GLU116
|
4.3
|
14.1
|
1.0
|
|
N
|
B:LEU161
|
4.3
|
11.3
|
1.0
|
|
OD2
|
B:ASP154
|
4.3
|
12.2
|
1.0
|
|
N
|
B:LYS160
|
4.4
|
11.5
|
1.0
|
|
CA
|
B:THR158
|
4.4
|
10.6
|
1.0
|
|
CB
|
B:ASP154
|
4.4
|
12.7
|
1.0
|
|
OE1
|
B:GLU116
|
4.4
|
13.1
|
1.0
|
|
C
|
B:ASP154
|
4.5
|
12.4
|
1.0
|
|
N
|
B:ASP156
|
4.5
|
10.9
|
1.0
|
|
C
|
B:LEU161
|
4.5
|
11.1
|
1.0
|
|
CG
|
B:GLU165
|
4.5
|
11.3
|
1.0
|
|
CD
|
B:GLU116
|
4.6
|
14.3
|
1.0
|
|
CA
|
B:LYS160
|
4.6
|
11.6
|
1.0
|
|
N
|
B:GLY159
|
4.6
|
10.3
|
1.0
|
|
N
|
B:THR157
|
4.6
|
10.2
|
1.0
|
|
N
|
B:SER155
|
4.7
|
12.0
|
1.0
|
|
CB
|
B:ASP156
|
4.7
|
10.8
|
1.0
|
|
C
|
B:THR158
|
4.8
|
10.5
|
1.0
|
|
CA
|
B:ASP156
|
4.9
|
10.7
|
1.0
|
|
C
|
B:ASP156
|
4.9
|
10.4
|
1.0
|
|
O
|
B:ASP154
|
5.0
|
12.1
|
1.0
|
|
Calcium binding site 9 out
of 10 in 3bow
Go back to
Calcium Binding Sites List in 3bow
Calcium binding site 9 out
of 10 in the Structure of M-Calpain in Complex with Calpastatin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 9 of Structure of M-Calpain in Complex with Calpastatin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca403
b:20.4
occ:1.00
|
OD1
|
B:ASP186
|
2.3
|
19.5
|
1.0
|
|
OG
|
B:SER188
|
2.3
|
18.0
|
1.0
|
|
OD1
|
B:ASP184
|
2.3
|
18.2
|
1.0
|
|
OE2
|
B:GLU195
|
2.3
|
18.9
|
1.0
|
|
OE1
|
B:GLU195
|
2.3
|
18.9
|
1.0
|
|
O
|
B:THR190
|
2.4
|
16.2
|
1.0
|
|
CD
|
B:GLU195
|
2.7
|
16.0
|
1.0
|
|
CG
|
B:ASP186
|
3.1
|
17.0
|
1.0
|
|
OD2
|
B:ASP186
|
3.3
|
17.3
|
1.0
|
|
CG
|
B:ASP184
|
3.5
|
14.9
|
1.0
|
|
C
|
B:THR190
|
3.6
|
14.6
|
1.0
|
|
CB
|
B:SER188
|
3.7
|
16.2
|
1.0
|
|
N
|
B:SER188
|
4.1
|
16.1
|
1.0
|
|
CA
|
B:ASP184
|
4.2
|
14.2
|
1.0
|
|
CG
|
B:GLU195
|
4.2
|
15.8
|
1.0
|
|
OG1
|
B:THR190
|
4.3
|
13.9
|
1.0
|
|
CB
|
B:ASP184
|
4.3
|
14.3
|
1.0
|
|
N
|
B:GLY192
|
4.3
|
13.8
|
1.0
|
|
OD2
|
B:ASP184
|
4.3
|
15.1
|
1.0
|
|
N
|
B:ILE191
|
4.4
|
14.3
|
1.0
|
|
N
|
B:THR190
|
4.4
|
14.3
|
1.0
|
|
CA
|
B:SER188
|
4.4
|
16.0
|
1.0
|
|
CA
|
B:ILE191
|
4.4
|
13.9
|
1.0
|
|
ND2
|
B:ASN225
|
4.4
|
17.0
|
1.0
|
|
CB
|
B:ASP186
|
4.4
|
16.1
|
1.0
|
|
CA
|
B:THR190
|
4.5
|
14.3
|
1.0
|
|
N
|
B:ASP186
|
4.6
|
15.6
|
1.0
|
|
C
|
B:ASP184
|
4.6
|
14.5
|
1.0
|
|
N
|
B:ARG187
|
4.8
|
16.2
|
1.0
|
|
C
|
B:ILE191
|
4.8
|
13.9
|
1.0
|
|
CA
|
B:ASP186
|
4.8
|
16.0
|
1.0
|
|
N
|
B:THR185
|
4.8
|
14.8
|
1.0
|
|
N
|
B:GLY189
|
4.9
|
15.0
|
1.0
|
|
C
|
B:ASP186
|
4.9
|
16.1
|
1.0
|
|
C
|
B:SER188
|
4.9
|
15.5
|
1.0
|
|
Calcium binding site 10 out
of 10 in 3bow
Go back to
Calcium Binding Sites List in 3bow
Calcium binding site 10 out
of 10 in the Structure of M-Calpain in Complex with Calpastatin
 Mono view
 Stereo pair view
|
|
A full contact list of Calcium with other atoms in the Ca binding
site number 10 of Structure of M-Calpain in Complex with Calpastatin within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca404
b:17.8
occ:1.00
|
OD1
|
B:ASN230
|
2.3
|
14.7
|
1.0
|
|
OD1
|
B:ASP139
|
2.3
|
16.5
|
1.0
|
|
OD2
|
B:ASP229
|
2.3
|
16.4
|
1.0
|
|
OD1
|
B:ASP229
|
2.4
|
16.0
|
1.0
|
|
CG
|
B:ASP229
|
2.7
|
13.1
|
1.0
|
|
OD1
|
B:ASP227
|
3.0
|
16.9
|
1.0
|
|
CG
|
B:ASP139
|
3.2
|
14.6
|
1.0
|
|
CB
|
B:ASP227
|
3.4
|
14.4
|
1.0
|
|
CG
|
B:ASN230
|
3.4
|
11.5
|
1.0
|
|
OD2
|
B:ASP139
|
3.5
|
16.7
|
1.0
|
|
CG
|
B:ASP227
|
3.7
|
15.5
|
1.0
|
|
O
|
B:HOH407
|
4.1
|
26.3
|
1.0
|
|
ND2
|
B:ASN230
|
4.1
|
10.4
|
1.0
|
|
CB
|
B:ASP229
|
4.2
|
12.7
|
1.0
|
|
N
|
B:ASN230
|
4.2
|
11.1
|
1.0
|
|
N
|
B:ASP139
|
4.4
|
13.3
|
1.0
|
|
CB
|
B:ASN230
|
4.5
|
10.6
|
1.0
|
|
CB
|
B:ASP139
|
4.6
|
13.4
|
1.0
|
|
O
|
B:GLY140
|
4.7
|
13.3
|
1.0
|
|
OG1
|
B:THR138
|
4.8
|
14.8
|
1.0
|
|
C
|
B:ASP229
|
4.8
|
11.8
|
1.0
|
|
CA
|
B:ASP229
|
4.8
|
12.4
|
1.0
|
|
CA
|
B:ASN230
|
4.9
|
10.5
|
1.0
|
|
CA
|
B:ASP227
|
4.9
|
14.4
|
1.0
|
|
OD2
|
B:ASP227
|
4.9
|
17.3
|
1.0
|
|
N
|
B:ASP229
|
4.9
|
12.6
|
1.0
|
|
CA
|
B:ASP139
|
4.9
|
13.2
|
1.0
|
|
Reference:
R.A.Hanna,
R.L.Campbell,
P.L.Davies.
Calcium-Bound Structure of Calpain and Its Mechanism of Inhibition By Calpastatin. Nature V. 456 409 2008.
ISSN: ISSN 0028-0836
PubMed: 19020623
DOI: 10.1038/NATURE07451
Page generated: Sat Jul 13 08:21:24 2024
|
