Calcium in PDB 5b8i: Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs
Enzymatic activity of Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs
All present enzymatic activity of Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs:
3.1.3.16;
Protein crystallography data
The structure of Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs, PDB code: 5b8i
was solved by
Seattle Structural Genomics Center For Infectious Disease (Ssgcid),
D.Fox Iii,
D.M.Dranow,
D.D.Lorimer,
T.E.Edwards,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.27 /
1.85
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
94.670,
154.630,
64.750,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
14.5 /
17.2
|
Other elements in 5b8i:
The structure of Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs
(pdb code 5b8i). 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 Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs, PDB code: 5b8i:
Jump to Calcium binding site number:
1;
2;
3;
4;
Calcium binding site 1 out
of 4 in 5b8i
Go back to
Calcium Binding Sites List in 5b8i
Calcium binding site 1 out
of 4 in the Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs
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 A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca201
b:20.8
occ:1.00
|
OD1
|
B:ASP31
|
2.4
|
17.5
|
1.0
|
OE2
|
B:GLU39
|
2.4
|
21.6
|
1.0
|
OD1
|
B:ASP33
|
2.4
|
23.0
|
1.0
|
O
|
B:THR37
|
2.4
|
21.4
|
1.0
|
OG
|
B:SER35
|
2.5
|
21.7
|
1.0
|
OE2
|
B:GLU42
|
2.5
|
20.2
|
1.0
|
OE1
|
B:GLU42
|
2.6
|
23.9
|
1.0
|
CD
|
B:GLU42
|
2.9
|
22.0
|
1.0
|
CD
|
B:GLU39
|
3.3
|
31.1
|
1.0
|
CG
|
B:ASP33
|
3.4
|
27.4
|
1.0
|
CG
|
B:ASP31
|
3.5
|
21.6
|
1.0
|
OE1
|
B:GLU39
|
3.6
|
37.6
|
1.0
|
CB
|
B:SER35
|
3.6
|
24.9
|
1.0
|
C
|
B:THR37
|
3.6
|
18.9
|
1.0
|
OD2
|
B:ASP33
|
3.9
|
29.4
|
1.0
|
N
|
B:SER35
|
4.0
|
23.3
|
1.0
|
CA
|
B:ASP31
|
4.1
|
20.3
|
1.0
|
N
|
B:GLU39
|
4.3
|
21.8
|
1.0
|
N
|
B:ASP33
|
4.3
|
26.1
|
1.0
|
CB
|
B:ASP31
|
4.3
|
20.0
|
1.0
|
O
|
B:HOH319
|
4.3
|
36.2
|
1.0
|
CG
|
B:GLU42
|
4.3
|
21.1
|
1.0
|
CA
|
B:ILE38
|
4.3
|
21.2
|
0.5
|
C
|
B:ASP31
|
4.3
|
26.7
|
1.0
|
CA
|
B:SER35
|
4.4
|
23.3
|
1.0
|
N
|
B:THR37
|
4.4
|
17.8
|
1.0
|
CA
|
B:ILE38
|
4.4
|
21.4
|
0.5
|
OD2
|
B:ASP31
|
4.4
|
20.2
|
1.0
|
N
|
B:ILE38
|
4.5
|
18.0
|
1.0
|
OG1
|
B:THR37
|
4.5
|
26.6
|
1.0
|
CA
|
B:THR37
|
4.6
|
16.5
|
1.0
|
N
|
B:LYS34
|
4.6
|
25.4
|
1.0
|
CB
|
B:ASP33
|
4.6
|
30.4
|
1.0
|
N
|
B:ARG32
|
4.6
|
25.8
|
1.0
|
CG
|
B:GLU39
|
4.7
|
27.5
|
1.0
|
CA
|
B:ASP33
|
4.8
|
29.6
|
1.0
|
C
|
B:ILE38
|
4.8
|
22.0
|
1.0
|
C
|
B:ASP33
|
4.8
|
29.5
|
1.0
|
N
|
B:GLY36
|
4.8
|
17.8
|
1.0
|
O
|
B:ASP31
|
4.9
|
27.9
|
1.0
|
O
|
B:HOH317
|
4.9
|
29.3
|
1.0
|
C
|
B:SER35
|
4.9
|
20.0
|
1.0
|
CB
|
B:GLU39
|
5.0
|
28.1
|
1.0
|
|
Calcium binding site 2 out
of 4 in 5b8i
Go back to
Calcium Binding Sites List in 5b8i
Calcium binding site 2 out
of 4 in the Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs
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 A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca202
b:21.1
occ:1.00
|
O
|
B:ASP69
|
2.3
|
19.9
|
1.0
|
OD1
|
B:ASP63
|
2.3
|
22.8
|
1.0
|
O
|
B:HOH359
|
2.4
|
29.1
|
1.0
|
OD1
|
B:ASP65
|
2.4
|
28.1
|
1.0
|
OE2
|
B:GLU74
|
2.4
|
22.5
|
1.0
|
O
|
B:HOH351
|
2.4
|
24.7
|
1.0
|
OE1
|
B:GLU74
|
2.5
|
24.3
|
1.0
|
CD
|
B:GLU74
|
2.8
|
24.1
|
1.0
|
CG
|
B:ASP65
|
3.4
|
32.4
|
1.0
|
CG
|
B:ASP63
|
3.4
|
24.8
|
1.0
|
C
|
B:ASP69
|
3.5
|
19.7
|
1.0
|
OD2
|
B:ASP65
|
3.8
|
34.1
|
1.0
|
OD1
|
B:ASP69
|
4.1
|
35.8
|
1.0
|
N
|
B:GLY67
|
4.1
|
27.8
|
1.0
|
O
|
B:HOH365
|
4.2
|
32.2
|
1.0
|
OD2
|
B:ASP63
|
4.2
|
23.6
|
1.0
|
CA
|
B:ASP63
|
4.2
|
21.9
|
1.0
|
N
|
B:ASP69
|
4.3
|
23.0
|
1.0
|
N
|
B:ASP65
|
4.3
|
27.2
|
1.0
|
CG
|
B:GLU74
|
4.3
|
21.3
|
1.0
|
CB
|
B:ASP63
|
4.3
|
20.9
|
1.0
|
CA
|
B:VAL70
|
4.4
|
18.1
|
1.0
|
N
|
B:VAL70
|
4.4
|
17.5
|
1.0
|
C
|
B:ASP63
|
4.4
|
23.9
|
1.0
|
CA
|
B:ASP69
|
4.5
|
19.0
|
1.0
|
CB
|
B:ASP65
|
4.5
|
33.4
|
1.0
|
CA
|
B:GLY67
|
4.5
|
29.6
|
1.0
|
O
|
B:HOH396
|
4.5
|
32.5
|
1.0
|
N
|
B:GLY66
|
4.6
|
28.4
|
1.0
|
N
|
B:GLY68
|
4.6
|
23.3
|
1.0
|
N
|
B:GLU64
|
4.6
|
23.2
|
1.0
|
N
|
B:ASP71
|
4.7
|
22.1
|
1.0
|
CA
|
B:ASP65
|
4.8
|
34.0
|
1.0
|
O
|
B:HOH380
|
4.8
|
37.4
|
1.0
|
C
|
B:GLY67
|
4.9
|
29.7
|
1.0
|
C
|
B:ASP65
|
4.9
|
34.8
|
1.0
|
O
|
B:ASP63
|
4.9
|
24.5
|
1.0
|
|
Calcium binding site 3 out
of 4 in 5b8i
Go back to
Calcium Binding Sites List in 5b8i
Calcium binding site 3 out
of 4 in the Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs
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 A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca203
b:26.3
occ:1.00
|
O
|
B:PHE106
|
2.3
|
30.4
|
1.0
|
OE1
|
B:GLU111
|
2.3
|
28.2
|
1.0
|
OD1
|
B:ASP100
|
2.3
|
28.4
|
1.0
|
O
|
B:HOH358
|
2.4
|
33.4
|
1.0
|
OD1
|
B:ASP102
|
2.4
|
28.0
|
1.0
|
OD1
|
B:ASP104
|
2.5
|
32.9
|
1.0
|
OE2
|
B:GLU111
|
2.5
|
25.0
|
1.0
|
CD
|
B:GLU111
|
2.8
|
26.6
|
1.0
|
CG
|
B:ASP104
|
3.3
|
36.5
|
1.0
|
CG
|
B:ASP102
|
3.3
|
39.5
|
1.0
|
CG
|
B:ASP100
|
3.5
|
28.0
|
1.0
|
C
|
B:PHE106
|
3.5
|
26.5
|
1.0
|
OD2
|
B:ASP102
|
3.8
|
43.8
|
1.0
|
OD2
|
B:ASP104
|
3.8
|
36.8
|
1.0
|
N
|
B:ASP102
|
4.1
|
27.4
|
1.0
|
N
|
B:ASP104
|
4.2
|
33.7
|
1.0
|
OD2
|
B:ASP100
|
4.2
|
26.9
|
1.0
|
N
|
B:PHE106
|
4.2
|
26.5
|
1.0
|
CG
|
B:GLU111
|
4.3
|
27.4
|
1.0
|
CA
|
B:PHE106
|
4.4
|
26.9
|
1.0
|
CA
|
B:ASP100
|
4.4
|
26.1
|
1.0
|
CB
|
B:ASP104
|
4.4
|
32.7
|
1.0
|
CB
|
B:ASP100
|
4.4
|
24.2
|
1.0
|
N
|
B:ILE107
|
4.4
|
23.2
|
1.0
|
N
|
B:SER108
|
4.4
|
24.0
|
1.0
|
CA
|
B:ILE107
|
4.5
|
20.4
|
1.0
|
CB
|
B:ASP102
|
4.5
|
35.8
|
1.0
|
C
|
B:ASP100
|
4.5
|
28.5
|
1.0
|
N
|
B:ARG103
|
4.5
|
30.6
|
1.0
|
CA
|
B:ASP102
|
4.6
|
33.5
|
1.0
|
N
|
B:ILE101
|
4.7
|
25.0
|
1.0
|
O
|
B:HOH472
|
4.7
|
54.5
|
1.0
|
CA
|
B:ASP104
|
4.7
|
32.5
|
1.0
|
C
|
B:ASP102
|
4.8
|
33.2
|
1.0
|
CB
|
B:PHE106
|
4.8
|
32.7
|
1.0
|
N
|
B:GLY105
|
4.9
|
29.7
|
1.0
|
C
|
B:ILE107
|
4.9
|
24.9
|
1.0
|
O
|
B:ASP100
|
4.9
|
27.3
|
1.0
|
|
Calcium binding site 4 out
of 4 in 5b8i
Go back to
Calcium Binding Sites List in 5b8i
Calcium binding site 4 out
of 4 in the Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs
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 A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca204
b:26.6
occ:1.00
|
OD1
|
B:ASP141
|
2.3
|
29.4
|
1.0
|
O
|
B:ARG147
|
2.3
|
30.2
|
1.0
|
OD1
|
B:ASP145
|
2.4
|
36.1
|
1.0
|
O
|
B:HOH400
|
2.4
|
26.4
|
1.0
|
OD1
|
B:ASP143
|
2.4
|
33.8
|
1.0
|
OE2
|
B:GLU152
|
2.4
|
29.6
|
1.0
|
OE1
|
B:GLU152
|
2.5
|
28.3
|
1.0
|
CD
|
B:GLU152
|
2.8
|
28.6
|
1.0
|
CG
|
B:ASP145
|
3.3
|
40.4
|
1.0
|
CG
|
B:ASP143
|
3.4
|
39.5
|
1.0
|
CG
|
B:ASP141
|
3.4
|
33.1
|
1.0
|
C
|
B:ARG147
|
3.5
|
28.4
|
1.0
|
OD2
|
B:ASP145
|
3.7
|
38.4
|
1.0
|
OD2
|
B:ASP143
|
3.8
|
41.7
|
1.0
|
N
|
B:ASP145
|
4.1
|
37.1
|
1.0
|
CA
|
B:ASP141
|
4.1
|
29.7
|
1.0
|
N
|
B:ARG147
|
4.2
|
28.8
|
1.0
|
CB
|
B:ASP141
|
4.3
|
31.5
|
1.0
|
OD2
|
B:ASP141
|
4.3
|
32.1
|
1.0
|
N
|
B:ASP143
|
4.3
|
35.9
|
1.0
|
CG
|
B:GLU152
|
4.4
|
30.6
|
1.0
|
O
|
B:HOH389
|
4.4
|
38.1
|
1.0
|
N
|
B:ILE148
|
4.4
|
23.7
|
1.0
|
N
|
B:SER149
|
4.4
|
26.2
|
1.0
|
C
|
B:ASP141
|
4.4
|
32.0
|
1.0
|
CB
|
B:ASP145
|
4.4
|
40.1
|
1.0
|
CA
|
B:ILE148
|
4.5
|
23.0
|
1.0
|
CA
|
B:ARG147
|
4.5
|
26.3
|
1.0
|
N
|
B:GLY144
|
4.5
|
37.8
|
1.0
|
N
|
B:LEU142
|
4.6
|
30.9
|
1.0
|
CB
|
B:ASP143
|
4.6
|
40.8
|
1.0
|
CG
|
B:ARG147
|
4.7
|
36.1
|
1.0
|
CA
|
B:ASP145
|
4.7
|
40.2
|
1.0
|
CA
|
B:ASP143
|
4.8
|
42.5
|
1.0
|
N
|
B:GLY146
|
4.8
|
32.9
|
1.0
|
C
|
B:ASP143
|
4.9
|
42.1
|
1.0
|
C
|
B:ILE148
|
4.9
|
26.2
|
1.0
|
O
|
B:HOH383
|
5.0
|
33.0
|
1.0
|
CD1
|
B:ILE148
|
5.0
|
25.5
|
1.0
|
C
|
B:ASP145
|
5.0
|
38.8
|
1.0
|
|
Reference:
Seattle Structural Genomics Center For Infectious Disease(Ssgcid),
D.Fox Iii,
D.M.Dranow,
D.D.Lorimer,
T.E.Edwards.
Crystal Structure of Calcineurin A and Calcineurin B in Complex with FKBP12 and FK506 From Coccidioides Immitis Rs To Be Published.
Page generated: Sun Jul 14 16:52:35 2024
|