Calcium in PDB 3ll8: Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
Enzymatic activity of Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
All present enzymatic activity of Crystal Structure of Calcineurin in Complex with AKAP79 Peptide:
3.1.3.16;
Protein crystallography data
The structure of Crystal Structure of Calcineurin in Complex with AKAP79 Peptide, PDB code: 3ll8
was solved by
H.Li,
P.G.Hogan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
43.15 /
2.00
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
86.275,
89.699,
158.914,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.8 /
22.8
|
Other elements in 3ll8:
The structure of Crystal Structure of Calcineurin in Complex with AKAP79 Peptide also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
(pdb code 3ll8). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Crystal Structure of Calcineurin in Complex with AKAP79 Peptide, PDB code: 3ll8:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 3ll8
Go back to
Calcium Binding Sites List in 3ll8
Calcium binding site 1 out
of 8 in the Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
 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 Calcineurin in Complex with AKAP79 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca501
b:48.4
occ:1.00
|
OD1
|
B:ASP30
|
2.3
|
50.9
|
1.0
|
|
OG
|
B:SER34
|
2.3
|
49.8
|
1.0
|
|
O
|
B:HOH421
|
2.3
|
47.5
|
1.0
|
|
O
|
B:SER36
|
2.3
|
46.7
|
1.0
|
|
OE2
|
B:GLU41
|
2.4
|
52.6
|
1.0
|
|
OD1
|
B:ASP32
|
2.5
|
56.9
|
1.0
|
|
OE1
|
B:GLU41
|
2.6
|
51.1
|
1.0
|
|
CD
|
B:GLU41
|
2.9
|
51.9
|
1.0
|
|
CG
|
B:ASP32
|
3.4
|
58.2
|
1.0
|
|
CG
|
B:ASP30
|
3.5
|
52.6
|
1.0
|
|
C
|
B:SER36
|
3.5
|
46.6
|
1.0
|
|
CB
|
B:SER34
|
3.6
|
52.0
|
1.0
|
|
OD2
|
B:ASP32
|
3.7
|
58.6
|
1.0
|
|
N
|
B:SER34
|
4.0
|
53.8
|
1.0
|
|
N
|
B:SER36
|
4.2
|
47.4
|
1.0
|
|
OD2
|
B:ASP30
|
4.3
|
52.7
|
1.0
|
|
CA
|
B:SER34
|
4.3
|
52.0
|
1.0
|
|
CA
|
B:ASP30
|
4.3
|
54.5
|
1.0
|
|
CG
|
B:GLU41
|
4.3
|
50.6
|
1.0
|
|
CB
|
B:ASP30
|
4.4
|
53.6
|
1.0
|
|
CA
|
B:LEU37
|
4.4
|
45.5
|
1.0
|
|
N
|
B:LEU37
|
4.4
|
46.1
|
1.0
|
|
CA
|
B:SER36
|
4.4
|
47.3
|
1.0
|
|
N
|
B:ASP32
|
4.5
|
57.9
|
1.0
|
|
N
|
B:SER38
|
4.5
|
44.9
|
1.0
|
|
C
|
B:ASP30
|
4.6
|
55.5
|
1.0
|
|
OE2
|
B:GLU68
|
4.6
|
60.5
|
1.0
|
|
CB
|
B:ASP32
|
4.6
|
57.7
|
1.0
|
|
C
|
B:ASP32
|
4.8
|
57.8
|
1.0
|
|
N
|
B:GLY35
|
4.8
|
50.8
|
1.0
|
|
CD1
|
B:LEU37
|
4.8
|
47.0
|
1.0
|
|
N
|
B:LEU31
|
4.8
|
56.1
|
1.0
|
|
CA
|
B:ASP32
|
4.8
|
57.8
|
1.0
|
|
N
|
B:ASN33
|
4.9
|
57.1
|
1.0
|
|
C
|
B:SER34
|
4.9
|
51.8
|
1.0
|
|
C
|
B:LEU37
|
4.9
|
45.0
|
1.0
|
|
Calcium binding site 2 out
of 8 in 3ll8
Go back to
Calcium Binding Sites List in 3ll8
Calcium binding site 2 out
of 8 in the Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
 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 Calcineurin in Complex with AKAP79 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca502
b:32.6
occ:1.00
|
O
|
B:GLU68
|
2.2
|
35.0
|
1.0
|
|
OD1
|
B:ASP62
|
2.3
|
34.6
|
1.0
|
|
O
|
B:HOH422
|
2.4
|
37.2
|
1.0
|
|
OD1
|
B:ASP64
|
2.4
|
42.6
|
1.0
|
|
OD1
|
B:ASN66
|
2.4
|
38.5
|
1.0
|
|
OE1
|
B:GLU73
|
2.5
|
34.3
|
1.0
|
|
OE2
|
B:GLU73
|
2.5
|
33.8
|
1.0
|
|
CD
|
B:GLU73
|
2.9
|
35.9
|
1.0
|
|
CG
|
B:ASP64
|
3.3
|
43.4
|
1.0
|
|
CG
|
B:ASP62
|
3.4
|
36.5
|
1.0
|
|
C
|
B:GLU68
|
3.4
|
36.1
|
1.0
|
|
CG
|
B:ASN66
|
3.5
|
39.4
|
1.0
|
|
OD2
|
B:ASP64
|
3.6
|
49.0
|
1.0
|
|
CA
|
B:ASP62
|
4.1
|
35.2
|
1.0
|
|
CB
|
B:ASP62
|
4.1
|
34.6
|
1.0
|
|
N
|
B:GLU68
|
4.2
|
37.6
|
1.0
|
|
N
|
B:ASN66
|
4.2
|
37.7
|
1.0
|
|
OD2
|
B:ASP62
|
4.2
|
35.4
|
1.0
|
|
ND2
|
B:ASN66
|
4.3
|
36.9
|
1.0
|
|
N
|
B:VAL69
|
4.3
|
35.1
|
1.0
|
|
N
|
B:ASP64
|
4.4
|
40.9
|
1.0
|
|
CA
|
B:GLU68
|
4.4
|
38.3
|
1.0
|
|
OD2
|
B:ASP70
|
4.4
|
41.1
|
1.0
|
|
CA
|
B:VAL69
|
4.4
|
35.3
|
1.0
|
|
CG
|
B:GLU73
|
4.4
|
35.3
|
1.0
|
|
N
|
B:ASP70
|
4.4
|
36.4
|
1.0
|
|
C
|
B:ASP62
|
4.4
|
36.2
|
1.0
|
|
O
|
B:HOH403
|
4.5
|
44.1
|
1.0
|
|
CB
|
B:ASN66
|
4.5
|
36.5
|
1.0
|
|
CB
|
B:ASP64
|
4.6
|
41.6
|
1.0
|
|
N
|
B:GLY67
|
4.7
|
38.5
|
1.0
|
|
N
|
B:GLY65
|
4.7
|
39.0
|
1.0
|
|
CA
|
B:ASN66
|
4.7
|
38.2
|
1.0
|
|
N
|
B:THR63
|
4.7
|
37.0
|
1.0
|
|
CA
|
B:ASP64
|
4.8
|
41.1
|
1.0
|
|
C
|
B:VAL69
|
4.9
|
35.3
|
1.0
|
|
O
|
B:ASP62
|
4.9
|
35.7
|
1.0
|
|
C
|
B:ASP64
|
4.9
|
41.0
|
1.0
|
|
CG
|
B:ASP70
|
5.0
|
40.2
|
1.0
|
|
CB
|
B:GLU68
|
5.0
|
39.3
|
1.0
|
|
Calcium binding site 3 out
of 8 in 3ll8
Go back to
Calcium Binding Sites List in 3ll8
Calcium binding site 3 out
of 8 in the Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
 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 Calcineurin in Complex with AKAP79 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca503
b:29.1
occ:1.00
|
O
|
B:HOH423
|
2.1
|
34.6
|
1.0
|
|
OD1
|
B:ASP99
|
2.2
|
30.5
|
1.0
|
|
O
|
B:TYR105
|
2.3
|
28.7
|
1.0
|
|
OE1
|
B:GLU110
|
2.3
|
32.5
|
1.0
|
|
OD1
|
B:ASP103
|
2.3
|
33.4
|
1.0
|
|
OD1
|
B:ASP101
|
2.5
|
39.6
|
1.0
|
|
OE2
|
B:GLU110
|
2.6
|
31.7
|
1.0
|
|
CD
|
B:GLU110
|
2.8
|
33.7
|
1.0
|
|
CG
|
B:ASP101
|
3.3
|
38.8
|
1.0
|
|
CG
|
B:ASP103
|
3.3
|
36.8
|
1.0
|
|
CG
|
B:ASP99
|
3.4
|
28.7
|
1.0
|
|
C
|
B:TYR105
|
3.5
|
30.0
|
1.0
|
|
OD2
|
B:ASP101
|
3.5
|
44.4
|
1.0
|
|
OD2
|
B:ASP103
|
3.8
|
39.1
|
1.0
|
|
N
|
B:TYR105
|
4.1
|
28.7
|
1.0
|
|
OD2
|
B:ASP99
|
4.1
|
27.5
|
1.0
|
|
O
|
B:HOH415
|
4.2
|
54.9
|
1.0
|
|
N
|
B:ASP103
|
4.3
|
33.2
|
1.0
|
|
CG
|
B:GLU110
|
4.3
|
31.4
|
1.0
|
|
N
|
B:ASP101
|
4.3
|
34.0
|
1.0
|
|
CA
|
B:TYR105
|
4.3
|
29.1
|
1.0
|
|
N
|
B:ILE106
|
4.4
|
29.1
|
1.0
|
|
CA
|
B:ASP99
|
4.4
|
30.1
|
1.0
|
|
CA
|
B:ILE106
|
4.4
|
27.4
|
1.0
|
|
N
|
B:SER107
|
4.5
|
28.5
|
1.0
|
|
CB
|
B:ASP101
|
4.5
|
34.9
|
1.0
|
|
CB
|
B:ASP99
|
4.5
|
29.2
|
1.0
|
|
CB
|
B:ASP103
|
4.5
|
32.9
|
1.0
|
|
C
|
B:ASP99
|
4.5
|
30.4
|
1.0
|
|
N
|
B:LYS102
|
4.6
|
33.3
|
1.0
|
|
CA
|
B:ASP101
|
4.7
|
34.9
|
1.0
|
|
N
|
B:MET100
|
4.8
|
30.9
|
1.0
|
|
CB
|
B:TYR105
|
4.8
|
29.1
|
1.0
|
|
OG
|
B:SER107
|
4.8
|
33.5
|
1.0
|
|
CA
|
B:ASP103
|
4.8
|
33.6
|
1.0
|
|
C
|
B:ASP101
|
4.8
|
34.4
|
1.0
|
|
C
|
B:ILE106
|
4.9
|
28.0
|
1.0
|
|
N
|
B:GLY104
|
4.9
|
32.1
|
1.0
|
|
O
|
B:HOH467
|
4.9
|
43.2
|
1.0
|
|
O
|
B:ASP99
|
5.0
|
30.6
|
1.0
|
|
Calcium binding site 4 out
of 8 in 3ll8
Go back to
Calcium Binding Sites List in 3ll8
Calcium binding site 4 out
of 8 in the Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
 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 Calcineurin in Complex with AKAP79 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca504
b:35.6
occ:1.00
|
OD1
|
B:ASP140
|
2.2
|
35.6
|
1.0
|
|
OE1
|
B:GLU151
|
2.3
|
37.2
|
1.0
|
|
OD2
|
B:ASP142
|
2.3
|
48.0
|
1.0
|
|
O
|
B:ARG146
|
2.4
|
31.8
|
1.0
|
|
OD1
|
B:ASP144
|
2.4
|
41.8
|
1.0
|
|
O
|
B:HOH424
|
2.4
|
31.2
|
1.0
|
|
OE2
|
B:GLU151
|
2.6
|
34.2
|
1.0
|
|
CD
|
B:GLU151
|
2.8
|
34.7
|
1.0
|
|
CG
|
B:ASP142
|
3.1
|
50.2
|
1.0
|
|
OD1
|
B:ASP142
|
3.3
|
55.1
|
1.0
|
|
CG
|
B:ASP144
|
3.4
|
42.8
|
1.0
|
|
CG
|
B:ASP140
|
3.4
|
40.5
|
1.0
|
|
C
|
B:ARG146
|
3.5
|
32.2
|
1.0
|
|
OD2
|
B:ASP144
|
3.8
|
40.2
|
1.0
|
|
N
|
B:ARG146
|
4.2
|
34.7
|
1.0
|
|
CA
|
B:ASP140
|
4.2
|
40.2
|
1.0
|
|
CB
|
B:ASP140
|
4.3
|
39.0
|
1.0
|
|
N
|
B:ASP144
|
4.3
|
43.2
|
1.0
|
|
OD2
|
B:ASP140
|
4.3
|
37.8
|
1.0
|
|
N
|
B:ASP142
|
4.3
|
47.3
|
1.0
|
|
CG
|
B:GLU151
|
4.3
|
30.7
|
1.0
|
|
CA
|
B:ILE147
|
4.3
|
28.7
|
1.0
|
|
N
|
B:ILE147
|
4.4
|
30.1
|
1.0
|
|
N
|
B:SER148
|
4.4
|
27.0
|
1.0
|
|
CA
|
B:ARG146
|
4.4
|
33.8
|
1.0
|
|
CB
|
B:ASP142
|
4.5
|
48.5
|
1.0
|
|
C
|
B:ASP140
|
4.6
|
41.5
|
1.0
|
|
CB
|
B:ASP144
|
4.6
|
41.9
|
1.0
|
|
O
|
B:HOH456
|
4.6
|
42.8
|
1.0
|
|
N
|
B:LYS141
|
4.6
|
43.4
|
1.0
|
|
N
|
B:GLY143
|
4.7
|
47.0
|
1.0
|
|
CA
|
B:ASP142
|
4.7
|
48.0
|
1.0
|
|
CD1
|
B:ILE147
|
4.8
|
32.2
|
1.0
|
|
N
|
B:GLY145
|
4.8
|
38.5
|
1.0
|
|
C
|
B:ASP142
|
4.8
|
47.5
|
1.0
|
|
CA
|
B:ASP144
|
4.9
|
41.3
|
1.0
|
|
C
|
B:ILE147
|
4.9
|
28.1
|
1.0
|
|
CB
|
B:ARG146
|
4.9
|
34.4
|
1.0
|
|
Calcium binding site 5 out
of 8 in 3ll8
Go back to
Calcium Binding Sites List in 3ll8
Calcium binding site 5 out
of 8 in the Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
 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 Calcineurin in Complex with AKAP79 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca508
b:56.0
occ:1.00
|
O
|
D:HOH415
|
2.2
|
62.1
|
1.0
|
|
OD1
|
D:ASP30
|
2.3
|
58.7
|
1.0
|
|
OG
|
D:SER34
|
2.3
|
60.6
|
1.0
|
|
OD1
|
D:ASP32
|
2.4
|
67.6
|
1.0
|
|
O
|
D:SER36
|
2.4
|
58.0
|
1.0
|
|
OE2
|
D:GLU41
|
2.5
|
59.9
|
1.0
|
|
OE1
|
D:GLU41
|
2.6
|
60.8
|
1.0
|
|
CD
|
D:GLU41
|
2.9
|
60.0
|
1.0
|
|
CG
|
D:ASP32
|
3.3
|
66.7
|
1.0
|
|
CG
|
D:ASP30
|
3.4
|
58.7
|
1.0
|
|
CB
|
D:SER34
|
3.4
|
62.0
|
1.0
|
|
C
|
D:SER36
|
3.6
|
57.7
|
1.0
|
|
N
|
D:SER34
|
3.7
|
63.5
|
1.0
|
|
OD2
|
D:ASP32
|
3.7
|
68.0
|
1.0
|
|
CA
|
D:SER34
|
4.1
|
62.2
|
1.0
|
|
OD2
|
D:ASP30
|
4.2
|
58.9
|
1.0
|
|
CA
|
D:ASP30
|
4.3
|
59.5
|
1.0
|
|
CA
|
D:LEU37
|
4.3
|
56.1
|
1.0
|
|
CG
|
D:GLU41
|
4.3
|
60.2
|
1.0
|
|
CB
|
D:ASP30
|
4.4
|
58.9
|
1.0
|
|
N
|
D:LEU37
|
4.4
|
56.5
|
1.0
|
|
N
|
D:SER36
|
4.4
|
58.8
|
1.0
|
|
N
|
D:SER38
|
4.5
|
57.1
|
1.0
|
|
CB
|
D:ASP32
|
4.5
|
65.4
|
1.0
|
|
N
|
D:ASN33
|
4.5
|
65.4
|
1.0
|
|
C
|
D:ASP30
|
4.6
|
60.8
|
1.0
|
|
N
|
D:ASP32
|
4.6
|
64.4
|
1.0
|
|
CA
|
D:SER36
|
4.7
|
58.5
|
1.0
|
|
N
|
D:GLY35
|
4.7
|
61.3
|
1.0
|
|
OE2
|
D:GLU68
|
4.8
|
64.7
|
1.0
|
|
CD1
|
D:LEU37
|
4.8
|
53.6
|
1.0
|
|
C
|
D:ASN33
|
4.8
|
64.7
|
1.0
|
|
C
|
D:SER34
|
4.8
|
61.9
|
1.0
|
|
OG
|
D:SER38
|
4.9
|
57.9
|
1.0
|
|
C
|
D:LEU37
|
4.9
|
56.5
|
1.0
|
|
C
|
D:ASP32
|
4.9
|
65.2
|
1.0
|
|
CA
|
D:ASP32
|
4.9
|
65.1
|
1.0
|
|
N
|
D:LEU31
|
4.9
|
62.0
|
1.0
|
|
Calcium binding site 6 out
of 8 in 3ll8
Go back to
Calcium Binding Sites List in 3ll8
Calcium binding site 6 out
of 8 in the Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
 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 Calcineurin in Complex with AKAP79 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca509
b:43.9
occ:1.00
|
OD1
|
D:ASP62
|
2.3
|
46.5
|
1.0
|
|
O
|
D:HOH412
|
2.3
|
45.6
|
1.0
|
|
O
|
D:GLU68
|
2.3
|
51.3
|
1.0
|
|
OD1
|
D:ASP64
|
2.3
|
54.8
|
1.0
|
|
OD1
|
D:ASN66
|
2.4
|
57.3
|
1.0
|
|
OE1
|
D:GLU73
|
2.5
|
42.8
|
1.0
|
|
OE2
|
D:GLU73
|
2.5
|
43.4
|
1.0
|
|
CD
|
D:GLU73
|
2.8
|
41.9
|
1.0
|
|
CG
|
D:ASP64
|
3.2
|
55.3
|
1.0
|
|
CG
|
D:ASN66
|
3.3
|
57.6
|
1.0
|
|
CG
|
D:ASP62
|
3.5
|
45.0
|
1.0
|
|
C
|
D:GLU68
|
3.5
|
51.5
|
1.0
|
|
OD2
|
D:ASP64
|
3.5
|
58.5
|
1.0
|
|
ND2
|
D:ASN66
|
4.1
|
58.0
|
1.0
|
|
N
|
D:GLU68
|
4.1
|
53.1
|
1.0
|
|
CA
|
D:ASP62
|
4.1
|
43.8
|
1.0
|
|
CB
|
D:ASN66
|
4.2
|
55.5
|
1.0
|
|
CB
|
D:ASP62
|
4.2
|
42.6
|
1.0
|
|
N
|
D:ASP64
|
4.2
|
52.4
|
1.0
|
|
N
|
D:ASN66
|
4.3
|
54.7
|
1.0
|
|
CG
|
D:GLU73
|
4.3
|
39.0
|
1.0
|
|
CA
|
D:GLU68
|
4.4
|
52.9
|
1.0
|
|
OD2
|
D:ASP62
|
4.4
|
47.0
|
1.0
|
|
N
|
D:VAL69
|
4.4
|
49.0
|
1.0
|
|
CA
|
D:VAL69
|
4.4
|
47.3
|
1.0
|
|
C
|
D:ASP62
|
4.4
|
45.2
|
1.0
|
|
CB
|
D:ASP64
|
4.4
|
53.5
|
1.0
|
|
N
|
D:ASP70
|
4.5
|
46.9
|
1.0
|
|
OD2
|
D:ASP70
|
4.5
|
55.6
|
1.0
|
|
N
|
D:GLY67
|
4.6
|
55.2
|
1.0
|
|
CA
|
D:ASN66
|
4.6
|
55.5
|
1.0
|
|
CA
|
D:ASP64
|
4.7
|
53.3
|
1.0
|
|
N
|
D:GLY65
|
4.7
|
53.9
|
1.0
|
|
N
|
D:THR63
|
4.7
|
47.6
|
1.0
|
|
CB
|
D:GLU68
|
4.8
|
53.5
|
1.0
|
|
C
|
D:ASN66
|
4.8
|
55.5
|
1.0
|
|
C
|
D:ASP64
|
4.8
|
53.3
|
1.0
|
|
O
|
D:ASP62
|
4.9
|
44.0
|
1.0
|
|
C
|
D:VAL69
|
4.9
|
47.0
|
1.0
|
|
CG
|
D:ASP70
|
4.9
|
50.6
|
1.0
|
|
Calcium binding site 7 out
of 8 in 3ll8
Go back to
Calcium Binding Sites List in 3ll8
Calcium binding site 7 out
of 8 in the Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
 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 Calcineurin in Complex with AKAP79 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca510
b:33.3
occ:1.00
|
O
|
D:TYR105
|
2.2
|
32.1
|
1.0
|
|
OD1
|
D:ASP99
|
2.2
|
37.3
|
1.0
|
|
O
|
D:HOH413
|
2.2
|
43.6
|
1.0
|
|
OD1
|
D:ASP103
|
2.3
|
37.8
|
1.0
|
|
OD1
|
D:ASP101
|
2.4
|
44.0
|
1.0
|
|
OE1
|
D:GLU110
|
2.4
|
35.5
|
1.0
|
|
OE2
|
D:GLU110
|
2.5
|
33.1
|
1.0
|
|
CD
|
D:GLU110
|
2.8
|
35.7
|
1.0
|
|
CG
|
D:ASP103
|
3.3
|
42.3
|
1.0
|
|
CG
|
D:ASP101
|
3.3
|
41.4
|
1.0
|
|
CG
|
D:ASP99
|
3.4
|
37.4
|
1.0
|
|
C
|
D:TYR105
|
3.5
|
33.3
|
1.0
|
|
OD2
|
D:ASP101
|
3.7
|
43.8
|
1.0
|
|
OD2
|
D:ASP103
|
3.8
|
43.1
|
1.0
|
|
OD2
|
D:ASP99
|
4.2
|
37.7
|
1.0
|
|
N
|
D:TYR105
|
4.2
|
34.8
|
1.0
|
|
N
|
D:ASP103
|
4.2
|
39.2
|
1.0
|
|
N
|
D:ASP101
|
4.2
|
40.2
|
1.0
|
|
CA
|
D:ASP99
|
4.3
|
36.0
|
1.0
|
|
CB
|
D:ASP99
|
4.3
|
35.8
|
1.0
|
|
CA
|
D:TYR105
|
4.3
|
33.4
|
1.0
|
|
CG
|
D:GLU110
|
4.3
|
32.8
|
1.0
|
|
N
|
D:ILE106
|
4.4
|
32.6
|
1.0
|
|
CA
|
D:ILE106
|
4.4
|
32.8
|
1.0
|
|
N
|
D:SER107
|
4.4
|
30.9
|
1.0
|
|
C
|
D:ASP99
|
4.4
|
37.3
|
1.0
|
|
CB
|
D:ASP103
|
4.5
|
40.0
|
1.0
|
|
CB
|
D:ASP101
|
4.6
|
39.1
|
1.0
|
|
N
|
D:LYS102
|
4.6
|
39.6
|
1.0
|
|
N
|
D:MET100
|
4.6
|
37.6
|
1.0
|
|
CB
|
D:TYR105
|
4.7
|
34.5
|
1.0
|
|
CA
|
D:ASP101
|
4.7
|
39.7
|
1.0
|
|
CA
|
D:ASP103
|
4.7
|
40.2
|
1.0
|
|
C
|
D:ASP101
|
4.8
|
39.7
|
1.0
|
|
C
|
D:ILE106
|
4.9
|
32.3
|
1.0
|
|
OG
|
D:SER107
|
4.9
|
34.4
|
1.0
|
|
O
|
D:HOH403
|
4.9
|
49.2
|
1.0
|
|
O
|
D:ASP99
|
4.9
|
36.0
|
1.0
|
|
N
|
D:GLY104
|
4.9
|
38.1
|
1.0
|
|
Calcium binding site 8 out
of 8 in 3ll8
Go back to
Calcium Binding Sites List in 3ll8
Calcium binding site 8 out
of 8 in the Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
 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 Calcineurin in Complex with AKAP79 Peptide within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Ca511
b:33.5
occ:1.00
|
OD1
|
D:ASP140
|
2.2
|
31.7
|
1.0
|
|
O
|
D:HOH414
|
2.3
|
38.6
|
1.0
|
|
OE1
|
D:GLU151
|
2.3
|
32.3
|
1.0
|
|
OD1
|
D:ASP144
|
2.3
|
40.2
|
1.0
|
|
O
|
D:ARG146
|
2.4
|
33.8
|
1.0
|
|
OD2
|
D:ASP142
|
2.4
|
42.9
|
1.0
|
|
OE2
|
D:GLU151
|
2.6
|
36.0
|
1.0
|
|
CD
|
D:GLU151
|
2.8
|
34.1
|
1.0
|
|
CG
|
D:ASP142
|
3.3
|
40.1
|
1.0
|
|
CG
|
D:ASP144
|
3.3
|
39.7
|
1.0
|
|
CG
|
D:ASP140
|
3.5
|
35.7
|
1.0
|
|
C
|
D:ARG146
|
3.5
|
34.5
|
1.0
|
|
OD1
|
D:ASP142
|
3.6
|
45.4
|
1.0
|
|
OD2
|
D:ASP144
|
3.8
|
41.9
|
1.0
|
|
CA
|
D:ASP140
|
4.2
|
36.1
|
1.0
|
|
N
|
D:ARG146
|
4.3
|
34.6
|
1.0
|
|
CG
|
D:GLU151
|
4.3
|
32.7
|
1.0
|
|
CB
|
D:ASP140
|
4.3
|
35.0
|
1.0
|
|
N
|
D:ASP144
|
4.3
|
37.8
|
1.0
|
|
OD2
|
D:ASP140
|
4.4
|
35.0
|
1.0
|
|
N
|
D:ILE147
|
4.4
|
33.5
|
1.0
|
|
CA
|
D:ILE147
|
4.4
|
33.0
|
1.0
|
|
N
|
D:ASP142
|
4.4
|
37.0
|
1.0
|
|
CA
|
D:ARG146
|
4.5
|
35.3
|
1.0
|
|
N
|
D:SER148
|
4.5
|
33.5
|
1.0
|
|
C
|
D:ASP140
|
4.5
|
35.6
|
1.0
|
|
CB
|
D:ASP144
|
4.5
|
38.1
|
1.0
|
|
CB
|
D:ASP142
|
4.5
|
37.0
|
1.0
|
|
N
|
D:LYS141
|
4.7
|
35.5
|
1.0
|
|
N
|
D:GLY143
|
4.8
|
37.8
|
1.0
|
|
CA
|
D:ASP142
|
4.9
|
36.9
|
1.0
|
|
CA
|
D:ASP144
|
4.9
|
38.0
|
1.0
|
|
C
|
D:ILE147
|
4.9
|
33.6
|
1.0
|
|
CB
|
D:ARG146
|
4.9
|
36.0
|
1.0
|
|
Reference:
H.Li,
M.D.Pink,
J.G.Murphy,
A.Stein,
M.L.Dell'acqua,
P.G.Hogan.
Balanced Interactions of Calcineurin with AKAP79 Regulate Ca(2+)-Calcineurin-Nfat Signaling. Nat.Struct.Mol.Biol. V. 19 337 2012.
ISSN: ISSN 1545-9993
PubMed: 22343722
DOI: 10.1038/NSMB.2238
Page generated: Sat Jul 13 13:08:58 2024
|
