Manganese in PDB 3v4y: Crystal Structure of the First Nuclear PP1 Holoenzyme
Enzymatic activity of Crystal Structure of the First Nuclear PP1 Holoenzyme
All present enzymatic activity of Crystal Structure of the First Nuclear PP1 Holoenzyme:
3.1.3.16;
Protein crystallography data
The structure of Crystal Structure of the First Nuclear PP1 Holoenzyme, PDB code: 3v4y
was solved by
R.Page,
W.Peti,
N.E.O'connell,
S.Nichols,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
20.00 /
2.10
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
76.639,
116.035,
168.093,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
15.4 /
19.6
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of the First Nuclear PP1 Holoenzyme
(pdb code 3v4y). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the
Crystal Structure of the First Nuclear PP1 Holoenzyme, PDB code: 3v4y:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Manganese binding site 1 out
of 8 in 3v4y
Go back to
Manganese Binding Sites List in 3v4y
Manganese binding site 1 out
of 8 in the Crystal Structure of the First Nuclear PP1 Holoenzyme
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Crystal Structure of the First Nuclear PP1 Holoenzyme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn401
b:20.9
occ:0.84
|
OD1
|
A:ASN124
|
2.1
|
18.5
|
1.0
|
|
NE2
|
A:HIS173
|
2.1
|
16.8
|
1.0
|
|
O
|
A:HOH517
|
2.1
|
30.3
|
1.0
|
|
OD2
|
A:ASP92
|
2.2
|
20.1
|
1.0
|
|
ND1
|
A:HIS248
|
2.3
|
21.0
|
1.0
|
|
HA
|
A:HIS248
|
2.6
|
22.8
|
1.0
|
|
CE1
|
A:HIS173
|
3.1
|
18.6
|
1.0
|
|
CD2
|
A:HIS173
|
3.1
|
17.0
|
1.0
|
|
CG
|
A:ASN124
|
3.1
|
19.4
|
1.0
|
|
CE1
|
A:HIS248
|
3.2
|
19.8
|
1.0
|
|
MN
|
A:MN402
|
3.2
|
34.2
|
0.9
|
|
CG
|
A:ASP92
|
3.2
|
19.0
|
1.0
|
|
HE1
|
A:HIS248
|
3.2
|
23.7
|
1.0
|
|
HE1
|
A:HIS173
|
3.3
|
22.2
|
1.0
|
|
HD2
|
A:HIS173
|
3.3
|
20.4
|
1.0
|
|
CG
|
A:HIS248
|
3.4
|
21.5
|
1.0
|
|
HD2
|
A:HIS125
|
3.4
|
22.1
|
1.0
|
|
HD22
|
A:ASN124
|
3.4
|
20.7
|
1.0
|
|
CA
|
A:HIS248
|
3.5
|
19.1
|
1.0
|
|
O
|
A:HOH525
|
3.5
|
28.8
|
1.0
|
|
H
|
A:ASN124
|
3.6
|
16.8
|
1.0
|
|
OD1
|
A:ASP92
|
3.6
|
19.3
|
1.0
|
|
ND2
|
A:ASN124
|
3.7
|
17.3
|
1.0
|
|
CB
|
A:HIS248
|
3.8
|
16.8
|
1.0
|
|
HB2
|
A:HIS248
|
3.8
|
20.1
|
1.0
|
|
O
|
A:HIS248
|
4.0
|
23.8
|
1.0
|
|
OD2
|
A:ASP64
|
4.0
|
27.4
|
1.0
|
|
ND1
|
A:HIS173
|
4.2
|
16.0
|
1.0
|
|
C
|
A:HIS248
|
4.2
|
25.5
|
1.0
|
|
CG
|
A:HIS173
|
4.2
|
16.1
|
1.0
|
|
CD2
|
A:HIS125
|
4.2
|
18.5
|
1.0
|
|
NE2
|
A:HIS248
|
4.3
|
15.3
|
1.0
|
|
N
|
A:ASN124
|
4.4
|
14.0
|
1.0
|
|
CB
|
A:ASN124
|
4.4
|
12.2
|
1.0
|
|
CD2
|
A:HIS248
|
4.4
|
14.4
|
1.0
|
|
HB2
|
A:ASP92
|
4.5
|
16.2
|
1.0
|
|
CB
|
A:ASP92
|
4.5
|
13.6
|
1.0
|
|
HB3
|
A:ASN124
|
4.5
|
14.6
|
1.0
|
|
H
|
A:HIS248
|
4.5
|
22.0
|
1.0
|
|
N
|
A:HIS248
|
4.5
|
18.3
|
1.0
|
|
HD21
|
A:ASN124
|
4.5
|
20.7
|
1.0
|
|
H
|
A:HIS125
|
4.6
|
15.9
|
1.0
|
|
HE2
|
A:HIS125
|
4.6
|
28.1
|
1.0
|
|
O
|
A:HOH661
|
4.7
|
37.3
|
1.0
|
|
HB3
|
A:HIS248
|
4.7
|
20.1
|
1.0
|
|
O
|
A:LEU205
|
4.7
|
19.0
|
1.0
|
|
HB3
|
A:ASP92
|
4.8
|
16.2
|
1.0
|
|
CG
|
A:ASP64
|
4.8
|
24.9
|
1.0
|
|
NE2
|
A:HIS125
|
4.9
|
23.5
|
1.0
|
|
O
|
A:HOH617
|
4.9
|
52.7
|
1.0
|
|
CA
|
A:ASN124
|
4.9
|
14.6
|
1.0
|
|
OD1
|
A:ASP64
|
4.9
|
21.7
|
1.0
|
|
HD1
|
A:HIS173
|
5.0
|
19.2
|
1.0
|
|
Manganese binding site 2 out
of 8 in 3v4y
Go back to
Manganese Binding Sites List in 3v4y
Manganese binding site 2 out
of 8 in the Crystal Structure of the First Nuclear PP1 Holoenzyme
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Crystal Structure of the First Nuclear PP1 Holoenzyme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn402
b:34.2
occ:0.90
|
OD2
|
A:ASP64
|
2.1
|
27.4
|
1.0
|
|
NE2
|
A:HIS66
|
2.2
|
21.3
|
1.0
|
|
OD2
|
A:ASP92
|
2.2
|
20.1
|
1.0
|
|
O
|
A:HOH661
|
2.2
|
37.3
|
1.0
|
|
O
|
A:HOH517
|
2.2
|
30.3
|
1.0
|
|
CE1
|
A:HIS66
|
3.1
|
20.9
|
1.0
|
|
CD2
|
A:HIS66
|
3.1
|
19.1
|
1.0
|
|
MN
|
A:MN401
|
3.2
|
20.9
|
0.8
|
|
CG
|
A:ASP92
|
3.2
|
19.0
|
1.0
|
|
CG
|
A:ASP64
|
3.2
|
24.9
|
1.0
|
|
HB3
|
A:ASP92
|
3.2
|
16.2
|
1.0
|
|
HE1
|
A:HIS66
|
3.3
|
25.1
|
1.0
|
|
HD2
|
A:HIS66
|
3.3
|
22.9
|
1.0
|
|
HB3
|
A:ASP64
|
3.5
|
21.1
|
1.0
|
|
HE1
|
A:PHE267
|
3.6
|
24.5
|
1.0
|
|
CB
|
A:ASP92
|
3.6
|
13.6
|
1.0
|
|
HA
|
A:HIS248
|
3.6
|
22.8
|
1.0
|
|
HD2
|
A:HIS125
|
3.7
|
22.1
|
1.0
|
|
HB2
|
A:ASP92
|
3.7
|
16.2
|
1.0
|
|
HE1
|
A:HIS173
|
3.8
|
22.2
|
1.0
|
|
CB
|
A:ASP64
|
3.9
|
17.6
|
1.0
|
|
OD1
|
A:ASP64
|
4.1
|
21.7
|
1.0
|
|
CD2
|
A:HIS125
|
4.1
|
18.5
|
1.0
|
|
O
|
A:HOH525
|
4.1
|
28.8
|
1.0
|
|
HE2
|
A:HIS125
|
4.1
|
28.1
|
1.0
|
|
ND1
|
A:HIS66
|
4.2
|
20.3
|
1.0
|
|
CG
|
A:HIS66
|
4.3
|
19.9
|
1.0
|
|
O
|
A:HOH617
|
4.3
|
52.7
|
1.0
|
|
OD1
|
A:ASP92
|
4.3
|
19.3
|
1.0
|
|
O
|
A:HIS248
|
4.3
|
23.8
|
1.0
|
|
HB2
|
A:ASP64
|
4.3
|
21.1
|
1.0
|
|
NE2
|
A:HIS173
|
4.3
|
16.8
|
1.0
|
|
NE2
|
A:HIS125
|
4.3
|
23.5
|
1.0
|
|
CE1
|
A:HIS173
|
4.4
|
18.6
|
1.0
|
|
CE1
|
A:PHE267
|
4.4
|
20.4
|
1.0
|
|
CA
|
A:HIS248
|
4.5
|
19.1
|
1.0
|
|
C
|
A:HIS248
|
4.6
|
25.5
|
1.0
|
|
H
|
A:HIS248
|
4.6
|
22.0
|
1.0
|
|
OH
|
A:TYR272
|
4.6
|
34.3
|
1.0
|
|
OD1
|
A:ASN124
|
4.7
|
18.5
|
1.0
|
|
HZ
|
A:PHE267
|
4.8
|
24.5
|
1.0
|
|
ND1
|
A:HIS248
|
4.9
|
21.0
|
1.0
|
|
Manganese binding site 3 out
of 8 in 3v4y
Go back to
Manganese Binding Sites List in 3v4y
Manganese binding site 3 out
of 8 in the Crystal Structure of the First Nuclear PP1 Holoenzyme
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Crystal Structure of the First Nuclear PP1 Holoenzyme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn401
b:38.3
occ:0.93
|
OD2
|
C:ASP64
|
2.1
|
23.2
|
1.0
|
|
O
|
C:HOH614
|
2.1
|
34.9
|
1.0
|
|
OD2
|
C:ASP92
|
2.2
|
14.2
|
1.0
|
|
O
|
C:HOH662
|
2.2
|
44.8
|
1.0
|
|
NE2
|
C:HIS66
|
2.3
|
19.4
|
1.0
|
|
MN
|
C:MN402
|
3.0
|
17.7
|
0.9
|
|
CE1
|
C:HIS66
|
3.2
|
19.3
|
1.0
|
|
CG
|
C:ASP92
|
3.2
|
13.9
|
1.0
|
|
HE1
|
C:HIS66
|
3.2
|
23.2
|
1.0
|
|
CG
|
C:ASP64
|
3.2
|
20.1
|
1.0
|
|
HB3
|
C:ASP92
|
3.3
|
12.7
|
1.0
|
|
CD2
|
C:HIS66
|
3.4
|
13.2
|
1.0
|
|
HA
|
C:HIS248
|
3.5
|
20.2
|
1.0
|
|
HE1
|
C:PHE267
|
3.5
|
21.0
|
1.0
|
|
HB3
|
C:ASP64
|
3.6
|
21.3
|
1.0
|
|
HD2
|
C:HIS66
|
3.6
|
15.8
|
1.0
|
|
CB
|
C:ASP92
|
3.7
|
10.6
|
1.0
|
|
HE1
|
C:HIS173
|
3.7
|
21.7
|
1.0
|
|
HB2
|
C:ASP92
|
3.7
|
12.7
|
1.0
|
|
HD2
|
C:HIS125
|
3.7
|
18.5
|
1.0
|
|
O
|
C:HOH654
|
3.9
|
29.0
|
1.0
|
|
CB
|
C:ASP64
|
4.0
|
17.8
|
1.0
|
|
O
|
C:HOH664
|
4.1
|
40.5
|
1.0
|
|
OD1
|
C:ASP64
|
4.1
|
19.6
|
1.0
|
|
HE2
|
C:HIS125
|
4.1
|
23.5
|
1.0
|
|
CD2
|
C:HIS125
|
4.2
|
15.4
|
1.0
|
|
NE2
|
C:HIS173
|
4.2
|
14.7
|
1.0
|
|
CE1
|
C:HIS173
|
4.2
|
18.1
|
1.0
|
|
O
|
C:HIS248
|
4.3
|
28.6
|
1.0
|
|
CE1
|
C:PHE267
|
4.3
|
17.5
|
1.0
|
|
CA
|
C:HIS248
|
4.3
|
16.9
|
1.0
|
|
OD1
|
C:ASP92
|
4.3
|
16.7
|
1.0
|
|
ND1
|
C:HIS66
|
4.3
|
20.3
|
1.0
|
|
NE2
|
C:HIS125
|
4.4
|
19.6
|
1.0
|
|
HB2
|
C:ASP64
|
4.4
|
21.3
|
1.0
|
|
CG
|
C:HIS66
|
4.5
|
17.9
|
1.0
|
|
C
|
C:HIS248
|
4.5
|
21.7
|
1.0
|
|
OD1
|
C:ASN124
|
4.6
|
17.7
|
1.0
|
|
H
|
C:HIS248
|
4.6
|
17.4
|
1.0
|
|
ND1
|
C:HIS248
|
4.6
|
20.0
|
1.0
|
|
HZ
|
C:PHE267
|
4.7
|
21.3
|
1.0
|
|
OH
|
C:TYR272
|
4.8
|
38.3
|
1.0
|
|
CZ
|
C:PHE267
|
5.0
|
17.8
|
1.0
|
|
N
|
C:HIS248
|
5.0
|
14.5
|
1.0
|
|
Manganese binding site 4 out
of 8 in 3v4y
Go back to
Manganese Binding Sites List in 3v4y
Manganese binding site 4 out
of 8 in the Crystal Structure of the First Nuclear PP1 Holoenzyme
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Crystal Structure of the First Nuclear PP1 Holoenzyme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn402
b:17.7
occ:0.88
|
OD1
|
C:ASN124
|
2.1
|
17.7
|
1.0
|
|
NE2
|
C:HIS173
|
2.1
|
14.7
|
1.0
|
|
O
|
C:HOH614
|
2.1
|
34.9
|
1.0
|
|
ND1
|
C:HIS248
|
2.2
|
20.0
|
1.0
|
|
OD2
|
C:ASP92
|
2.2
|
14.2
|
1.0
|
|
HA
|
C:HIS248
|
2.7
|
20.2
|
1.0
|
|
CE1
|
C:HIS248
|
3.0
|
20.4
|
1.0
|
|
MN
|
C:MN401
|
3.0
|
38.3
|
0.9
|
|
CE1
|
C:HIS173
|
3.0
|
18.1
|
1.0
|
|
CD2
|
C:HIS173
|
3.1
|
13.2
|
1.0
|
|
CG
|
C:ASN124
|
3.1
|
17.8
|
1.0
|
|
HE1
|
C:HIS248
|
3.1
|
24.4
|
1.0
|
|
HE1
|
C:HIS173
|
3.2
|
21.7
|
1.0
|
|
HD22
|
C:ASN124
|
3.2
|
17.6
|
1.0
|
|
CG
|
C:ASP92
|
3.3
|
13.9
|
1.0
|
|
HD2
|
C:HIS173
|
3.3
|
15.9
|
1.0
|
|
CG
|
C:HIS248
|
3.3
|
16.2
|
1.0
|
|
O
|
C:HOH654
|
3.3
|
29.0
|
1.0
|
|
HD2
|
C:HIS125
|
3.4
|
18.5
|
1.0
|
|
CA
|
C:HIS248
|
3.5
|
16.9
|
1.0
|
|
ND2
|
C:ASN124
|
3.6
|
14.7
|
1.0
|
|
H
|
C:ASN124
|
3.6
|
13.8
|
1.0
|
|
OD1
|
C:ASP92
|
3.7
|
16.7
|
1.0
|
|
CB
|
C:HIS248
|
3.7
|
14.5
|
1.0
|
|
HB2
|
C:HIS248
|
3.8
|
17.3
|
1.0
|
|
OD2
|
C:ASP64
|
4.0
|
23.2
|
1.0
|
|
O
|
C:HIS248
|
4.0
|
28.6
|
1.0
|
|
ND1
|
C:HIS173
|
4.2
|
12.7
|
1.0
|
|
NE2
|
C:HIS248
|
4.2
|
20.5
|
1.0
|
|
CG
|
C:HIS173
|
4.2
|
13.9
|
1.0
|
|
CD2
|
C:HIS125
|
4.2
|
15.4
|
1.0
|
|
C
|
C:HIS248
|
4.3
|
21.7
|
1.0
|
|
CD2
|
C:HIS248
|
4.3
|
16.4
|
1.0
|
|
CB
|
C:ASN124
|
4.4
|
12.0
|
1.0
|
|
HD21
|
C:ASN124
|
4.4
|
17.6
|
1.0
|
|
N
|
C:ASN124
|
4.4
|
11.5
|
1.0
|
|
O
|
C:HOH662
|
4.4
|
44.8
|
1.0
|
|
HB2
|
C:ASP92
|
4.5
|
12.7
|
1.0
|
|
CB
|
C:ASP92
|
4.5
|
10.6
|
1.0
|
|
HB3
|
C:ASN124
|
4.5
|
14.3
|
1.0
|
|
HE2
|
C:HIS125
|
4.5
|
23.5
|
1.0
|
|
H
|
C:HIS248
|
4.6
|
17.4
|
1.0
|
|
N
|
C:HIS248
|
4.6
|
14.5
|
1.0
|
|
H
|
C:HIS125
|
4.6
|
10.8
|
1.0
|
|
HB3
|
C:HIS248
|
4.7
|
17.3
|
1.0
|
|
O
|
C:LEU205
|
4.8
|
20.3
|
1.0
|
|
NE2
|
C:HIS125
|
4.8
|
19.6
|
1.0
|
|
HB3
|
C:ASP92
|
4.8
|
12.7
|
1.0
|
|
O
|
C:HOH664
|
4.8
|
40.5
|
1.0
|
|
CG
|
C:ASP64
|
4.9
|
20.1
|
1.0
|
|
CA
|
C:ASN124
|
4.9
|
11.9
|
1.0
|
|
HE2
|
C:HIS248
|
4.9
|
24.5
|
1.0
|
|
HD1
|
C:HIS173
|
4.9
|
15.2
|
1.0
|
|
Manganese binding site 5 out
of 8 in 3v4y
Go back to
Manganese Binding Sites List in 3v4y
Manganese binding site 5 out
of 8 in the Crystal Structure of the First Nuclear PP1 Holoenzyme
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Crystal Structure of the First Nuclear PP1 Holoenzyme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn401
b:38.0
occ:0.92
|
OD2
|
E:ASP64
|
2.1
|
26.3
|
1.0
|
|
O
|
E:HOH604
|
2.1
|
35.0
|
1.0
|
|
O
|
E:HOH555
|
2.2
|
34.4
|
1.0
|
|
OD2
|
E:ASP92
|
2.2
|
14.0
|
1.0
|
|
NE2
|
E:HIS66
|
2.2
|
17.1
|
1.0
|
|
CE1
|
E:HIS66
|
3.1
|
23.8
|
1.0
|
|
MN
|
E:MN402
|
3.2
|
16.3
|
0.8
|
|
CG
|
E:ASP92
|
3.2
|
15.1
|
1.0
|
|
CD2
|
E:HIS66
|
3.2
|
16.7
|
1.0
|
|
CG
|
E:ASP64
|
3.2
|
21.6
|
1.0
|
|
HE1
|
E:HIS66
|
3.3
|
28.5
|
1.0
|
|
HB3
|
E:ASP92
|
3.3
|
18.2
|
1.0
|
|
HD2
|
E:HIS66
|
3.4
|
20.0
|
1.0
|
|
HA
|
E:HIS248
|
3.5
|
25.8
|
1.0
|
|
HE1
|
E:PHE267
|
3.6
|
26.8
|
1.0
|
|
HB3
|
E:ASP64
|
3.6
|
21.9
|
1.0
|
|
CB
|
E:ASP92
|
3.6
|
15.2
|
1.0
|
|
O
|
E:HOH515
|
3.7
|
28.1
|
1.0
|
|
HB2
|
E:ASP92
|
3.7
|
18.2
|
1.0
|
|
HE1
|
E:HIS173
|
3.8
|
24.8
|
1.0
|
|
HD2
|
E:HIS125
|
3.8
|
24.9
|
1.0
|
|
O
|
E:HOH606
|
4.0
|
39.2
|
1.0
|
|
CB
|
E:ASP64
|
4.0
|
18.2
|
1.0
|
|
OD1
|
E:ASP64
|
4.1
|
21.9
|
1.0
|
|
CD2
|
E:HIS125
|
4.2
|
20.8
|
1.0
|
|
ND1
|
E:HIS66
|
4.3
|
20.3
|
1.0
|
|
HE2
|
E:HIS125
|
4.3
|
20.2
|
1.0
|
|
NE2
|
E:HIS173
|
4.3
|
18.8
|
1.0
|
|
OD1
|
E:ASP92
|
4.3
|
17.9
|
1.0
|
|
CG
|
E:HIS66
|
4.3
|
21.5
|
1.0
|
|
O
|
E:HIS248
|
4.3
|
26.7
|
1.0
|
|
CE1
|
E:HIS173
|
4.3
|
20.7
|
1.0
|
|
HB2
|
E:ASP64
|
4.4
|
21.9
|
1.0
|
|
CA
|
E:HIS248
|
4.4
|
21.5
|
1.0
|
|
NE2
|
E:HIS125
|
4.4
|
16.8
|
1.0
|
|
OH
|
E:TYR272
|
4.4
|
24.6
|
1.0
|
|
CE1
|
E:PHE267
|
4.5
|
22.4
|
1.0
|
|
C
|
E:HIS248
|
4.6
|
28.6
|
1.0
|
|
H
|
E:HIS248
|
4.6
|
23.9
|
1.0
|
|
OD1
|
E:ASN124
|
4.7
|
18.1
|
1.0
|
|
ND1
|
E:HIS248
|
4.8
|
20.2
|
1.0
|
|
HZ
|
E:PHE267
|
5.0
|
25.1
|
1.0
|
|
Manganese binding site 6 out
of 8 in 3v4y
Go back to
Manganese Binding Sites List in 3v4y
Manganese binding site 6 out
of 8 in the Crystal Structure of the First Nuclear PP1 Holoenzyme
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Crystal Structure of the First Nuclear PP1 Holoenzyme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn402
b:16.3
occ:0.81
|
NE2
|
E:HIS173
|
2.1
|
18.8
|
1.0
|
|
OD1
|
E:ASN124
|
2.1
|
18.1
|
1.0
|
|
O
|
E:HOH604
|
2.1
|
35.0
|
1.0
|
|
ND1
|
E:HIS248
|
2.2
|
20.2
|
1.0
|
|
OD2
|
E:ASP92
|
2.3
|
14.0
|
1.0
|
|
HA
|
E:HIS248
|
2.7
|
25.8
|
1.0
|
|
CD2
|
E:HIS173
|
3.0
|
16.9
|
1.0
|
|
CE1
|
E:HIS173
|
3.1
|
20.7
|
1.0
|
|
CE1
|
E:HIS248
|
3.1
|
20.1
|
1.0
|
|
O
|
E:HOH515
|
3.1
|
28.1
|
1.0
|
|
CG
|
E:ASN124
|
3.1
|
17.0
|
1.0
|
|
HE1
|
E:HIS248
|
3.2
|
24.1
|
1.0
|
|
MN
|
E:MN401
|
3.2
|
38.0
|
0.9
|
|
HD2
|
E:HIS173
|
3.2
|
20.3
|
1.0
|
|
CG
|
E:ASP92
|
3.2
|
15.1
|
1.0
|
|
HE1
|
E:HIS173
|
3.3
|
24.8
|
1.0
|
|
CG
|
E:HIS248
|
3.3
|
17.1
|
1.0
|
|
HD2
|
E:HIS125
|
3.3
|
24.9
|
1.0
|
|
HD22
|
E:ASN124
|
3.4
|
22.3
|
1.0
|
|
CA
|
E:HIS248
|
3.5
|
21.5
|
1.0
|
|
OD1
|
E:ASP92
|
3.6
|
17.9
|
1.0
|
|
H
|
E:ASN124
|
3.6
|
16.9
|
1.0
|
|
ND2
|
E:ASN124
|
3.7
|
18.6
|
1.0
|
|
CB
|
E:HIS248
|
3.7
|
17.2
|
1.0
|
|
HB2
|
E:HIS248
|
3.7
|
20.7
|
1.0
|
|
O
|
E:HIS248
|
4.0
|
26.7
|
1.0
|
|
OD2
|
E:ASP64
|
4.1
|
26.3
|
1.0
|
|
ND1
|
E:HIS173
|
4.2
|
17.8
|
1.0
|
|
CG
|
E:HIS173
|
4.2
|
18.5
|
1.0
|
|
CD2
|
E:HIS125
|
4.2
|
20.8
|
1.0
|
|
NE2
|
E:HIS248
|
4.2
|
15.9
|
1.0
|
|
C
|
E:HIS248
|
4.3
|
28.6
|
1.0
|
|
CD2
|
E:HIS248
|
4.4
|
17.1
|
1.0
|
|
N
|
E:ASN124
|
4.4
|
14.1
|
1.0
|
|
CB
|
E:ASN124
|
4.4
|
16.2
|
1.0
|
|
CB
|
E:ASP92
|
4.5
|
15.2
|
1.0
|
|
H
|
E:HIS125
|
4.5
|
18.2
|
1.0
|
|
HB3
|
E:ASN124
|
4.5
|
19.5
|
1.0
|
|
H
|
E:HIS248
|
4.5
|
23.9
|
1.0
|
|
HD21
|
E:ASN124
|
4.5
|
22.3
|
1.0
|
|
HB2
|
E:ASP92
|
4.5
|
18.2
|
1.0
|
|
N
|
E:HIS248
|
4.5
|
20.0
|
1.0
|
|
O
|
E:HOH606
|
4.6
|
39.2
|
1.0
|
|
HE2
|
E:HIS125
|
4.6
|
20.2
|
1.0
|
|
HB3
|
E:HIS248
|
4.7
|
20.7
|
1.0
|
|
O
|
E:LEU205
|
4.7
|
18.9
|
1.0
|
|
O
|
E:HOH555
|
4.7
|
34.4
|
1.0
|
|
HB3
|
E:ASP92
|
4.8
|
18.2
|
1.0
|
|
NE2
|
E:HIS125
|
4.9
|
16.8
|
1.0
|
|
CA
|
E:ASN124
|
4.9
|
15.8
|
1.0
|
|
CG
|
E:ASP64
|
4.9
|
21.6
|
1.0
|
|
HD1
|
E:HIS173
|
5.0
|
21.4
|
1.0
|
|
HH12
|
E:ARG221
|
5.0
|
30.3
|
1.0
|
|
HE2
|
E:HIS248
|
5.0
|
19.0
|
1.0
|
|
Manganese binding site 7 out
of 8 in 3v4y
Go back to
Manganese Binding Sites List in 3v4y
Manganese binding site 7 out
of 8 in the Crystal Structure of the First Nuclear PP1 Holoenzyme
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Crystal Structure of the First Nuclear PP1 Holoenzyme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mn401
b:50.6
occ:0.89
|
OD2
|
G:ASP64
|
2.1
|
31.1
|
1.0
|
|
O
|
G:HOH587
|
2.1
|
42.6
|
1.0
|
|
OD2
|
G:ASP92
|
2.2
|
33.2
|
1.0
|
|
NE2
|
G:HIS66
|
2.3
|
31.9
|
1.0
|
|
MN
|
G:MN402
|
3.0
|
29.4
|
0.9
|
|
CG
|
G:ASP92
|
3.3
|
28.0
|
1.0
|
|
CE1
|
G:HIS66
|
3.3
|
33.0
|
1.0
|
|
CG
|
G:ASP64
|
3.3
|
32.9
|
1.0
|
|
CD2
|
G:HIS66
|
3.3
|
31.4
|
1.0
|
|
HE1
|
G:HIS66
|
3.4
|
39.5
|
1.0
|
|
HB3
|
G:ASP92
|
3.4
|
26.8
|
1.0
|
|
HA
|
G:HIS248
|
3.5
|
29.0
|
1.0
|
|
O
|
G:HOH534
|
3.5
|
39.0
|
1.0
|
|
HD2
|
G:HIS66
|
3.5
|
37.6
|
1.0
|
|
HE1
|
G:PHE267
|
3.5
|
40.0
|
1.0
|
|
HB3
|
G:ASP64
|
3.7
|
36.9
|
1.0
|
|
HE1
|
G:HIS173
|
3.8
|
31.9
|
1.0
|
|
CB
|
G:ASP92
|
3.8
|
22.4
|
1.0
|
|
HD2
|
G:HIS125
|
3.9
|
33.0
|
1.0
|
|
HB2
|
G:ASP92
|
3.9
|
26.8
|
1.0
|
|
CB
|
G:ASP64
|
4.1
|
30.8
|
1.0
|
|
OD1
|
G:ASP64
|
4.2
|
32.6
|
1.0
|
|
HE2
|
G:HIS125
|
4.2
|
37.2
|
1.0
|
|
CD2
|
G:HIS125
|
4.2
|
27.6
|
1.0
|
|
O
|
G:HIS248
|
4.3
|
39.4
|
1.0
|
|
OD1
|
G:ASP92
|
4.3
|
23.7
|
1.0
|
|
CE1
|
G:PHE267
|
4.3
|
33.3
|
1.0
|
|
CE1
|
G:HIS173
|
4.4
|
26.6
|
1.0
|
|
CA
|
G:HIS248
|
4.4
|
24.2
|
1.0
|
|
NE2
|
G:HIS173
|
4.4
|
25.4
|
1.0
|
|
ND1
|
G:HIS66
|
4.4
|
33.2
|
1.0
|
|
NE2
|
G:HIS125
|
4.4
|
31.0
|
1.0
|
|
HB2
|
G:ASP64
|
4.4
|
36.9
|
1.0
|
|
CG
|
G:HIS66
|
4.5
|
29.8
|
1.0
|
|
C
|
G:HIS248
|
4.5
|
36.8
|
1.0
|
|
H
|
G:HIS248
|
4.7
|
39.2
|
1.0
|
|
HZ
|
G:PHE267
|
4.7
|
39.8
|
1.0
|
|
OD1
|
G:ASN124
|
4.7
|
24.4
|
1.0
|
|
ND1
|
G:HIS248
|
4.7
|
33.3
|
1.0
|
|
OH
|
G:TYR272
|
4.8
|
53.3
|
1.0
|
|
CZ
|
G:PHE267
|
4.9
|
33.2
|
1.0
|
|
Manganese binding site 8 out
of 8 in 3v4y
Go back to
Manganese Binding Sites List in 3v4y
Manganese binding site 8 out
of 8 in the Crystal Structure of the First Nuclear PP1 Holoenzyme
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Crystal Structure of the First Nuclear PP1 Holoenzyme within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Mn402
b:29.4
occ:0.95
|
OD1
|
G:ASN124
|
2.1
|
24.4
|
1.0
|
|
NE2
|
G:HIS173
|
2.1
|
25.4
|
1.0
|
|
O
|
G:HOH587
|
2.1
|
42.6
|
1.0
|
|
ND1
|
G:HIS248
|
2.2
|
33.3
|
1.0
|
|
OD2
|
G:ASP92
|
2.3
|
33.2
|
1.0
|
|
HA
|
G:HIS248
|
2.7
|
29.0
|
1.0
|
|
O
|
G:HOH534
|
2.9
|
39.0
|
1.0
|
|
CE1
|
G:HIS173
|
3.0
|
26.6
|
1.0
|
|
CE1
|
G:HIS248
|
3.0
|
30.6
|
1.0
|
|
MN
|
G:MN401
|
3.0
|
50.6
|
0.9
|
|
HE1
|
G:HIS248
|
3.1
|
36.6
|
1.0
|
|
HE1
|
G:HIS173
|
3.1
|
31.9
|
1.0
|
|
CG
|
G:ASP92
|
3.2
|
28.0
|
1.0
|
|
CD2
|
G:HIS173
|
3.2
|
26.8
|
1.0
|
|
CG
|
G:ASN124
|
3.2
|
26.7
|
1.0
|
|
CG
|
G:HIS248
|
3.3
|
29.3
|
1.0
|
|
HD2
|
G:HIS125
|
3.4
|
33.0
|
1.0
|
|
HD22
|
G:ASN124
|
3.4
|
29.8
|
1.0
|
|
HD2
|
G:HIS173
|
3.4
|
32.1
|
1.0
|
|
OD1
|
G:ASP92
|
3.5
|
23.7
|
1.0
|
|
CA
|
G:HIS248
|
3.6
|
24.2
|
1.0
|
|
HB2
|
G:HIS248
|
3.7
|
32.5
|
1.0
|
|
H
|
G:ASN124
|
3.7
|
26.9
|
1.0
|
|
ND2
|
G:ASN124
|
3.7
|
24.9
|
1.0
|
|
CB
|
G:HIS248
|
3.7
|
27.1
|
1.0
|
|
OD2
|
G:ASP64
|
3.9
|
31.1
|
1.0
|
|
O
|
G:HIS248
|
4.0
|
39.4
|
1.0
|
|
ND1
|
G:HIS173
|
4.2
|
21.4
|
1.0
|
|
NE2
|
G:HIS248
|
4.2
|
40.6
|
1.0
|
|
CD2
|
G:HIS125
|
4.3
|
27.6
|
1.0
|
|
C
|
G:HIS248
|
4.3
|
36.8
|
1.0
|
|
CG
|
G:HIS173
|
4.3
|
25.3
|
1.0
|
|
CD2
|
G:HIS248
|
4.4
|
33.5
|
1.0
|
|
CB
|
G:ASN124
|
4.5
|
20.4
|
1.0
|
|
N
|
G:ASN124
|
4.5
|
22.4
|
1.0
|
|
CB
|
G:ASP92
|
4.5
|
22.4
|
1.0
|
|
HB2
|
G:ASP92
|
4.5
|
26.8
|
1.0
|
|
HD21
|
G:ASN124
|
4.6
|
29.8
|
1.0
|
|
HB3
|
G:ASN124
|
4.6
|
24.4
|
1.0
|
|
H
|
G:HIS248
|
4.6
|
39.2
|
1.0
|
|
H
|
G:HIS125
|
4.6
|
29.2
|
1.0
|
|
N
|
G:HIS248
|
4.6
|
32.7
|
1.0
|
|
HB3
|
G:HIS248
|
4.7
|
32.5
|
1.0
|
|
HE2
|
G:HIS125
|
4.7
|
37.2
|
1.0
|
|
O
|
G:LEU205
|
4.8
|
29.9
|
1.0
|
|
CG
|
G:ASP64
|
4.8
|
32.9
|
1.0
|
|
HB3
|
G:ASP92
|
4.8
|
26.8
|
1.0
|
|
NE2
|
G:HIS125
|
4.9
|
31.0
|
1.0
|
|
OD1
|
G:ASP64
|
4.9
|
32.6
|
1.0
|
|
HD1
|
G:HIS173
|
4.9
|
25.7
|
1.0
|
|
HE2
|
G:HIS248
|
5.0
|
48.7
|
1.0
|
|
CA
|
G:ASN124
|
5.0
|
25.5
|
1.0
|
|
Reference:
N.O'connell,
S.R.Nichols,
E.Heroes,
M.Beullens,
M.Bollen,
W.Peti,
R.Page.
The Molecular Basis For Substrate Specificity of the Nuclear NIPP1:PP1 Holoenzyme. Structure V. 20 1746 2012.
ISSN: ISSN 0969-2126
PubMed: 22940584
DOI: 10.1016/J.STR.2012.08.003
Page generated: Sat Oct 5 18:20:03 2024
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