Manganese in PDB 6zej: Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Enzymatic activity of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
All present enzymatic activity of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]:
3.1.3.16;
Protein crystallography data
The structure of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)], PDB code: 6zej
was solved by
S.Mouilleron,
R.Treisman,
R.Fedoryshchak,
R.Lee,
A.M.Butler,
M.Prechova,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
68.68 /
1.78
|
Space group
|
P 65
|
Cell size a, b, c (Å), α, β, γ (°)
|
137.370,
137.370,
238.020,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
24.2 /
27.1
|
Manganese Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Manganese atom in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
(pdb code 6zej). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 12 binding sites of Manganese where determined in the
Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)], PDB code: 6zej:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Manganese binding site 1 out
of 12 in 6zej
Go back to
Manganese Binding Sites List in 6zej
Manganese binding site 1 out
of 12 in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)] within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn401
b:33.6
occ:1.00
|
NE2
|
D:HIS172
|
2.0
|
35.0
|
1.0
|
ND1
|
D:HIS247
|
2.2
|
39.6
|
1.0
|
OD1
|
D:ASN123
|
2.2
|
35.3
|
1.0
|
OD2
|
D:ASP91
|
2.3
|
33.0
|
1.0
|
HE1
|
D:HIS247
|
2.8
|
47.0
|
1.0
|
CE1
|
D:HIS247
|
2.8
|
39.0
|
1.0
|
CE1
|
D:HIS172
|
2.9
|
37.6
|
1.0
|
HA
|
D:HIS247
|
2.9
|
42.9
|
1.0
|
MN
|
D:MN402
|
2.9
|
78.4
|
1.0
|
HE1
|
D:HIS172
|
3.0
|
45.3
|
1.0
|
CD2
|
D:HIS172
|
3.0
|
35.5
|
1.0
|
HD21
|
D:ASN123
|
3.1
|
44.0
|
1.0
|
CG
|
D:ASN123
|
3.2
|
35.6
|
1.0
|
CG
|
D:ASP91
|
3.2
|
36.9
|
1.0
|
HD2
|
D:HIS124
|
3.2
|
42.4
|
1.0
|
HD2
|
D:HIS172
|
3.3
|
42.8
|
1.0
|
CG
|
D:HIS247
|
3.3
|
35.8
|
1.0
|
ND2
|
D:ASN123
|
3.5
|
36.5
|
1.0
|
OD1
|
D:ASP91
|
3.6
|
32.5
|
1.0
|
CA
|
D:HIS247
|
3.7
|
35.6
|
1.0
|
H
|
D:ASN123
|
3.9
|
40.2
|
1.0
|
CB
|
D:HIS247
|
3.9
|
34.4
|
1.0
|
NE2
|
D:HIS247
|
4.0
|
34.4
|
1.0
|
ND1
|
D:HIS172
|
4.0
|
34.2
|
1.0
|
OD2
|
D:ASP63
|
4.0
|
37.7
|
1.0
|
HB2
|
D:HIS247
|
4.1
|
41.1
|
1.0
|
CD2
|
D:HIS124
|
4.1
|
36.1
|
1.0
|
CG
|
D:HIS172
|
4.1
|
34.2
|
1.0
|
O
|
D:HIS247
|
4.1
|
45.4
|
1.0
|
HE1
|
D:HIS65
|
4.2
|
47.1
|
1.0
|
CD2
|
D:HIS247
|
4.3
|
37.1
|
1.0
|
HD22
|
D:ASN123
|
4.4
|
44.0
|
1.0
|
C
|
D:HIS247
|
4.4
|
38.6
|
1.0
|
CB
|
D:ASP91
|
4.5
|
32.6
|
1.0
|
HB2
|
D:ASP91
|
4.5
|
38.3
|
1.0
|
CB
|
D:ASN123
|
4.6
|
35.2
|
1.0
|
N
|
D:ASN123
|
4.6
|
34.2
|
1.0
|
H
|
D:HIS247
|
4.6
|
43.2
|
1.0
|
NE2
|
D:HIS124
|
4.7
|
37.4
|
1.0
|
HE2
|
D:HIS247
|
4.7
|
41.0
|
1.0
|
O
|
D:LEU204
|
4.7
|
35.2
|
1.0
|
N
|
D:HIS247
|
4.7
|
35.9
|
1.0
|
H
|
D:HIS124
|
4.7
|
40.8
|
1.0
|
HB3
|
D:ASN123
|
4.8
|
41.4
|
1.0
|
HD1
|
D:HIS172
|
4.8
|
40.2
|
1.0
|
HB3
|
D:ASP91
|
4.8
|
38.3
|
1.0
|
HB3
|
D:HIS247
|
4.8
|
41.1
|
1.0
|
HH12
|
D:ARG220
|
4.9
|
53.4
|
1.0
|
CG
|
D:ASP63
|
4.9
|
33.3
|
1.0
|
CE1
|
D:HIS65
|
4.9
|
39.1
|
1.0
|
|
Manganese binding site 2 out
of 12 in 6zej
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Manganese Binding Sites List in 6zej
Manganese binding site 2 out
of 12 in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)] within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn402
b:78.4
occ:1.00
|
HE1
|
D:HIS65
|
1.6
|
47.1
|
1.0
|
OD2
|
D:ASP63
|
2.2
|
37.7
|
1.0
|
OD2
|
D:ASP91
|
2.4
|
33.0
|
1.0
|
CE1
|
D:HIS65
|
2.4
|
39.1
|
1.0
|
MN
|
D:MN401
|
2.9
|
33.6
|
1.0
|
NE2
|
D:HIS65
|
3.1
|
36.8
|
1.0
|
CG
|
D:ASP63
|
3.4
|
33.3
|
1.0
|
HA
|
D:HIS247
|
3.4
|
42.9
|
1.0
|
HE1
|
D:PHE266
|
3.5
|
44.4
|
1.0
|
CG
|
D:ASP91
|
3.5
|
36.9
|
1.0
|
HE1
|
D:HIS172
|
3.5
|
45.3
|
1.0
|
ND1
|
D:HIS65
|
3.6
|
39.0
|
1.0
|
HB3
|
D:ASP91
|
3.7
|
38.3
|
1.0
|
HD2
|
D:HIS124
|
3.8
|
42.4
|
1.0
|
HD1
|
D:HIS65
|
3.8
|
47.0
|
1.0
|
O
|
D:HIS247
|
3.9
|
45.4
|
1.0
|
HB3
|
D:ASP63
|
4.0
|
39.1
|
1.0
|
CB
|
D:ASP91
|
4.0
|
32.6
|
1.0
|
HH12
|
D:ARG95
|
4.1
|
64.2
|
1.0
|
NE2
|
D:HIS172
|
4.1
|
35.0
|
1.0
|
CE1
|
D:HIS172
|
4.1
|
37.6
|
1.0
|
HB2
|
D:ASP91
|
4.1
|
38.3
|
1.0
|
OD1
|
D:ASP63
|
4.2
|
34.4
|
1.0
|
CA
|
D:HIS247
|
4.2
|
35.6
|
1.0
|
ND1
|
D:HIS247
|
4.2
|
39.6
|
1.0
|
CB
|
D:ASP63
|
4.3
|
33.3
|
1.0
|
CD2
|
D:HIS124
|
4.3
|
36.1
|
1.0
|
C
|
D:HIS247
|
4.3
|
38.6
|
1.0
|
CE1
|
D:PHE266
|
4.4
|
36.9
|
1.0
|
OH
|
D:TYR271
|
4.4
|
44.0
|
1.0
|
CD2
|
D:HIS65
|
4.4
|
35.2
|
1.0
|
HH11
|
D:ARG95
|
4.5
|
64.2
|
1.0
|
NE2
|
D:HIS124
|
4.5
|
37.4
|
1.0
|
HH
|
D:TYR271
|
4.5
|
53.0
|
1.0
|
OD1
|
D:ASP91
|
4.5
|
32.5
|
1.0
|
NH1
|
D:ARG95
|
4.6
|
53.3
|
1.0
|
H
|
D:HIS247
|
4.6
|
43.2
|
1.0
|
HB2
|
D:ASP63
|
4.6
|
39.1
|
1.0
|
CG
|
D:HIS65
|
4.6
|
39.9
|
1.0
|
HZ
|
D:PHE266
|
4.6
|
39.3
|
1.0
|
OD1
|
D:ASN123
|
4.8
|
35.3
|
1.0
|
HD21
|
D:ASN123
|
4.9
|
44.0
|
1.0
|
HE1
|
D:HIS247
|
4.9
|
47.0
|
1.0
|
N
|
D:HIS247
|
5.0
|
35.9
|
1.0
|
CZ
|
D:PHE266
|
5.0
|
33.5
|
1.0
|
|
Manganese binding site 3 out
of 12 in 6zej
Go back to
Manganese Binding Sites List in 6zej
Manganese binding site 3 out
of 12 in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)] within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn404
b:48.4
occ:1.00
|
ND1
|
A:HIS247
|
2.1
|
33.1
|
1.0
|
OD1
|
A:ASN123
|
2.1
|
27.3
|
1.0
|
NE2
|
A:HIS172
|
2.2
|
29.9
|
1.0
|
OD2
|
A:ASP91
|
2.3
|
26.8
|
1.0
|
HE1
|
A:HIS247
|
2.8
|
31.9
|
1.0
|
CE1
|
A:HIS247
|
2.8
|
26.4
|
1.0
|
HA
|
A:HIS247
|
2.9
|
30.6
|
1.0
|
MN
|
A:MN405
|
3.1
|
65.8
|
1.0
|
CD2
|
A:HIS172
|
3.1
|
21.3
|
1.0
|
CG
|
A:ASN123
|
3.2
|
24.2
|
1.0
|
CG
|
A:ASP91
|
3.2
|
26.6
|
1.0
|
CE1
|
A:HIS172
|
3.2
|
26.5
|
1.0
|
HD2
|
A:HIS172
|
3.3
|
25.7
|
1.0
|
CG
|
A:HIS247
|
3.3
|
30.4
|
1.0
|
HD2
|
A:HIS124
|
3.3
|
31.6
|
1.0
|
HE1
|
A:HIS172
|
3.4
|
32.0
|
1.0
|
HD21
|
A:ASN123
|
3.4
|
33.9
|
1.0
|
OD1
|
A:ASP91
|
3.6
|
25.9
|
1.0
|
ND2
|
A:ASN123
|
3.7
|
28.1
|
1.0
|
CA
|
A:HIS247
|
3.7
|
25.4
|
1.0
|
H
|
A:ASN123
|
3.7
|
29.0
|
1.0
|
CB
|
A:HIS247
|
3.8
|
28.8
|
1.0
|
HB2
|
A:HIS247
|
3.9
|
34.7
|
1.0
|
NE2
|
A:HIS247
|
4.0
|
28.4
|
1.0
|
OD2
|
A:ASP63
|
4.0
|
28.3
|
1.0
|
O
|
A:HIS247
|
4.0
|
38.8
|
1.0
|
CD2
|
A:HIS124
|
4.2
|
26.2
|
1.0
|
CD2
|
A:HIS247
|
4.3
|
28.7
|
1.0
|
ND1
|
A:HIS172
|
4.3
|
24.2
|
1.0
|
CG
|
A:HIS172
|
4.3
|
25.0
|
1.0
|
C
|
A:HIS247
|
4.4
|
32.1
|
1.0
|
CB
|
A:ASN123
|
4.4
|
23.6
|
1.0
|
CB
|
A:ASP91
|
4.4
|
24.4
|
1.0
|
HB2
|
A:ASP91
|
4.4
|
28.4
|
1.0
|
HB3
|
A:ASN123
|
4.5
|
28.4
|
1.0
|
N
|
A:ASN123
|
4.5
|
24.0
|
1.0
|
HD22
|
A:ASN123
|
4.5
|
33.9
|
1.0
|
O
|
A:LEU204
|
4.6
|
24.0
|
1.0
|
H
|
A:HIS124
|
4.6
|
31.3
|
1.0
|
HE2
|
A:HIS247
|
4.7
|
34.3
|
1.0
|
NE2
|
A:HIS124
|
4.7
|
28.6
|
1.0
|
H
|
A:HIS247
|
4.7
|
32.5
|
1.0
|
HB3
|
A:ASP91
|
4.8
|
28.4
|
1.0
|
N
|
A:HIS247
|
4.8
|
27.0
|
1.0
|
HB3
|
A:HIS247
|
4.8
|
34.7
|
1.0
|
CG
|
A:ASP63
|
4.8
|
26.2
|
1.0
|
NE2
|
A:HIS65
|
4.9
|
37.4
|
1.0
|
OD1
|
A:ASP63
|
4.9
|
29.1
|
1.0
|
|
Manganese binding site 4 out
of 12 in 6zej
Go back to
Manganese Binding Sites List in 6zej
Manganese binding site 4 out
of 12 in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)] within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn405
b:65.8
occ:1.00
|
OD2
|
A:ASP63
|
2.2
|
28.3
|
1.0
|
NE2
|
A:HIS65
|
2.3
|
37.4
|
1.0
|
OD2
|
A:ASP91
|
2.3
|
26.8
|
1.0
|
MN
|
A:MN404
|
3.1
|
48.4
|
1.0
|
CD2
|
A:HIS65
|
3.2
|
29.6
|
1.0
|
CE1
|
A:HIS65
|
3.3
|
32.6
|
1.0
|
HD2
|
A:HIS65
|
3.3
|
35.6
|
1.0
|
CG
|
A:ASP63
|
3.4
|
26.2
|
1.0
|
CG
|
A:ASP91
|
3.4
|
26.6
|
1.0
|
HE2
|
A:PHE266
|
3.4
|
38.7
|
1.0
|
HE1
|
A:HIS65
|
3.5
|
39.4
|
1.0
|
HB3
|
A:ASP91
|
3.6
|
28.4
|
1.0
|
HA
|
A:HIS247
|
3.6
|
30.6
|
1.0
|
HD2
|
A:HIS124
|
3.8
|
31.6
|
1.0
|
CB
|
A:ASP91
|
3.9
|
24.4
|
1.0
|
HH12
|
A:ARG95
|
3.9
|
59.4
|
1.0
|
HB3
|
A:ASP63
|
3.9
|
29.5
|
1.0
|
O
|
A:HIS247
|
4.0
|
38.8
|
1.0
|
HE1
|
A:HIS172
|
4.0
|
32.0
|
1.0
|
HB2
|
A:ASP91
|
4.1
|
28.4
|
1.0
|
OD1
|
A:ASP63
|
4.2
|
29.1
|
1.0
|
CE2
|
A:PHE266
|
4.3
|
32.1
|
1.0
|
CB
|
A:ASP63
|
4.3
|
25.3
|
1.0
|
CD2
|
A:HIS124
|
4.3
|
26.2
|
1.0
|
CG
|
A:HIS65
|
4.4
|
33.1
|
1.0
|
ND1
|
A:HIS65
|
4.4
|
32.1
|
1.0
|
NE2
|
A:HIS172
|
4.4
|
29.9
|
1.0
|
NE2
|
A:HIS124
|
4.4
|
28.6
|
1.0
|
HH11
|
A:ARG95
|
4.5
|
59.4
|
1.0
|
OD1
|
A:ASP91
|
4.5
|
25.9
|
1.0
|
CA
|
A:HIS247
|
4.5
|
25.4
|
1.0
|
OH
|
A:TYR271
|
4.5
|
42.8
|
1.0
|
NH1
|
A:ARG95
|
4.5
|
49.4
|
1.0
|
HH
|
A:TYR271
|
4.5
|
51.5
|
1.0
|
HZ
|
A:PHE266
|
4.5
|
38.8
|
1.0
|
C
|
A:HIS247
|
4.5
|
32.1
|
1.0
|
ND1
|
A:HIS247
|
4.5
|
33.1
|
1.0
|
CE1
|
A:HIS172
|
4.5
|
26.5
|
1.0
|
HB2
|
A:ASP63
|
4.7
|
29.5
|
1.0
|
OD1
|
A:ASN123
|
4.7
|
27.3
|
1.0
|
CZ
|
A:PHE266
|
4.8
|
32.2
|
1.0
|
H
|
A:HIS247
|
4.9
|
32.5
|
1.0
|
|
Manganese binding site 5 out
of 12 in 6zej
Go back to
Manganese Binding Sites List in 6zej
Manganese binding site 5 out
of 12 in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)] within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mn402
b:34.6
occ:1.00
|
NE2
|
F:HIS172
|
1.9
|
36.6
|
1.0
|
OD1
|
F:ASN123
|
2.2
|
39.4
|
1.0
|
ND1
|
F:HIS247
|
2.2
|
35.8
|
1.0
|
OD2
|
F:ASP91
|
2.3
|
39.5
|
1.0
|
CE1
|
F:HIS172
|
2.8
|
38.6
|
1.0
|
HA
|
F:HIS247
|
2.8
|
41.2
|
1.0
|
HE1
|
F:HIS172
|
2.9
|
46.5
|
1.0
|
CE1
|
F:HIS247
|
2.9
|
36.2
|
1.0
|
HE1
|
F:HIS247
|
2.9
|
43.6
|
1.0
|
CD2
|
F:HIS172
|
3.0
|
38.8
|
1.0
|
MN
|
F:MN403
|
3.1
|
77.4
|
1.0
|
CG
|
F:ASP91
|
3.1
|
39.5
|
1.0
|
CG
|
F:ASN123
|
3.2
|
36.0
|
1.0
|
HD2
|
F:HIS124
|
3.3
|
44.6
|
1.0
|
HD2
|
F:HIS172
|
3.3
|
46.8
|
1.0
|
CG
|
F:HIS247
|
3.3
|
32.0
|
1.0
|
HD21
|
F:ASN123
|
3.4
|
47.5
|
1.0
|
OD1
|
F:ASP91
|
3.5
|
39.2
|
1.0
|
CA
|
F:HIS247
|
3.6
|
34.2
|
1.0
|
ND2
|
F:ASN123
|
3.7
|
39.4
|
1.0
|
H
|
F:ASN123
|
3.8
|
41.8
|
1.0
|
CB
|
F:HIS247
|
3.8
|
32.5
|
1.0
|
HB2
|
F:HIS247
|
3.9
|
39.1
|
1.0
|
ND1
|
F:HIS172
|
3.9
|
34.0
|
1.0
|
OD2
|
F:ASP63
|
4.0
|
35.0
|
1.0
|
NE2
|
F:HIS247
|
4.1
|
30.9
|
1.0
|
CG
|
F:HIS172
|
4.1
|
35.6
|
1.0
|
O
|
F:HIS247
|
4.1
|
41.7
|
1.0
|
CD2
|
F:HIS124
|
4.1
|
37.9
|
1.0
|
CD2
|
F:HIS247
|
4.3
|
32.1
|
1.0
|
CB
|
F:ASP91
|
4.4
|
39.8
|
1.0
|
C
|
F:HIS247
|
4.4
|
36.9
|
1.0
|
HB2
|
F:ASP91
|
4.4
|
46.9
|
1.0
|
CB
|
F:ASN123
|
4.5
|
35.8
|
1.0
|
HB3
|
F:ASN123
|
4.6
|
42.1
|
1.0
|
HD22
|
F:ASN123
|
4.6
|
47.5
|
1.0
|
N
|
F:ASN123
|
4.6
|
35.5
|
1.0
|
H
|
F:HIS247
|
4.6
|
43.4
|
1.0
|
NE2
|
F:HIS124
|
4.7
|
39.8
|
1.0
|
N
|
F:HIS247
|
4.7
|
36.0
|
1.0
|
HD1
|
F:HIS172
|
4.7
|
40.0
|
1.0
|
HB3
|
F:ASP91
|
4.7
|
46.9
|
1.0
|
O
|
F:LEU204
|
4.7
|
28.1
|
1.0
|
H
|
F:HIS124
|
4.7
|
45.7
|
1.0
|
HB3
|
F:HIS247
|
4.8
|
39.1
|
1.0
|
HE2
|
F:HIS247
|
4.8
|
37.2
|
1.0
|
CG
|
F:ASP63
|
4.8
|
36.6
|
1.0
|
NE2
|
F:HIS65
|
4.9
|
39.0
|
1.0
|
|
Manganese binding site 6 out
of 12 in 6zej
Go back to
Manganese Binding Sites List in 6zej
Manganese binding site 6 out
of 12 in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)] within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Mn403
b:77.4
occ:1.00
|
OD2
|
F:ASP63
|
2.0
|
35.0
|
1.0
|
OD2
|
F:ASP91
|
2.3
|
39.5
|
1.0
|
NE2
|
F:HIS65
|
2.4
|
39.0
|
1.0
|
MN
|
F:MN402
|
3.1
|
34.6
|
1.0
|
CG
|
F:ASP63
|
3.2
|
36.6
|
1.0
|
CD2
|
F:HIS65
|
3.3
|
38.5
|
1.0
|
HD2
|
F:HIS65
|
3.4
|
46.3
|
1.0
|
CG
|
F:ASP91
|
3.4
|
39.5
|
1.0
|
CE1
|
F:HIS65
|
3.4
|
36.3
|
1.0
|
HA
|
F:HIS247
|
3.4
|
41.2
|
1.0
|
HE2
|
F:PHE266
|
3.5
|
44.0
|
1.0
|
HB3
|
F:ASP91
|
3.5
|
46.9
|
1.0
|
HE1
|
F:HIS172
|
3.6
|
46.5
|
1.0
|
HE1
|
F:HIS65
|
3.6
|
43.7
|
1.0
|
HB3
|
F:ASP63
|
3.7
|
39.9
|
1.0
|
CB
|
F:ASP91
|
3.8
|
39.8
|
1.0
|
HB2
|
F:ASP91
|
3.9
|
46.9
|
1.0
|
HH12
|
F:ARG95
|
4.0
|
73.9
|
1.0
|
CB
|
F:ASP63
|
4.0
|
34.0
|
1.0
|
HD2
|
F:HIS124
|
4.0
|
44.6
|
1.0
|
O
|
F:HIS247
|
4.1
|
41.7
|
1.0
|
OD1
|
F:ASP63
|
4.1
|
36.7
|
1.0
|
CE1
|
F:HIS172
|
4.2
|
38.6
|
1.0
|
NE2
|
F:HIS172
|
4.3
|
36.6
|
1.0
|
CA
|
F:HIS247
|
4.3
|
34.2
|
1.0
|
CE2
|
F:PHE266
|
4.3
|
36.5
|
1.0
|
HB2
|
F:ASP63
|
4.4
|
39.9
|
1.0
|
CD2
|
F:HIS124
|
4.4
|
37.9
|
1.0
|
C
|
F:HIS247
|
4.4
|
36.9
|
1.0
|
HH11
|
F:ARG95
|
4.4
|
73.9
|
1.0
|
NE2
|
F:HIS124
|
4.5
|
39.8
|
1.0
|
HH
|
F:TYR271
|
4.5
|
53.5
|
1.0
|
CG
|
F:HIS65
|
4.5
|
36.9
|
1.0
|
OH
|
F:TYR271
|
4.5
|
44.4
|
1.0
|
ND1
|
F:HIS247
|
4.5
|
35.8
|
1.0
|
OD1
|
F:ASP91
|
4.5
|
39.2
|
1.0
|
ND1
|
F:HIS65
|
4.5
|
45.2
|
1.0
|
NH1
|
F:ARG95
|
4.6
|
61.4
|
1.0
|
H
|
F:HIS247
|
4.6
|
43.4
|
1.0
|
HZ
|
F:PHE266
|
4.7
|
47.1
|
1.0
|
OD1
|
F:ASN123
|
4.7
|
39.4
|
1.0
|
CZ
|
F:PHE266
|
5.0
|
39.1
|
1.0
|
N
|
F:HIS247
|
5.0
|
36.0
|
1.0
|
|
Manganese binding site 7 out
of 12 in 6zej
Go back to
Manganese Binding Sites List in 6zej
Manganese binding site 7 out
of 12 in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)] within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn402
b:32.7
occ:1.00
|
OD1
|
I:ASN123
|
2.1
|
39.8
|
1.0
|
NE2
|
I:HIS172
|
2.2
|
39.4
|
1.0
|
ND1
|
I:HIS247
|
2.2
|
41.9
|
1.0
|
OD2
|
I:ASP91
|
2.3
|
36.8
|
1.0
|
HA
|
I:HIS247
|
2.8
|
48.3
|
1.0
|
CE1
|
I:HIS247
|
2.9
|
42.5
|
1.0
|
HE1
|
I:HIS247
|
2.9
|
50.4
|
1.0
|
CG
|
I:ASP91
|
3.1
|
36.7
|
1.0
|
CG
|
I:ASN123
|
3.1
|
43.2
|
1.0
|
CE1
|
I:HIS172
|
3.1
|
39.2
|
1.0
|
CD2
|
I:HIS172
|
3.2
|
39.0
|
1.0
|
HD21
|
I:ASN123
|
3.2
|
47.9
|
1.0
|
HD2
|
I:HIS124
|
3.2
|
55.7
|
1.0
|
HE1
|
I:HIS172
|
3.3
|
46.2
|
1.0
|
HD2
|
I:HIS172
|
3.3
|
46.0
|
1.0
|
MN
|
I:MN403
|
3.3
|
79.0
|
1.0
|
CG
|
I:HIS247
|
3.3
|
41.9
|
1.0
|
OD1
|
I:ASP91
|
3.4
|
37.5
|
1.0
|
ND2
|
I:ASN123
|
3.5
|
40.6
|
1.0
|
CA
|
I:HIS247
|
3.6
|
41.0
|
1.0
|
H
|
I:ASN123
|
3.8
|
45.4
|
1.0
|
CB
|
I:HIS247
|
3.8
|
42.8
|
1.0
|
HB2
|
I:HIS247
|
3.9
|
51.5
|
1.0
|
OD2
|
I:ASP63
|
3.9
|
41.0
|
1.0
|
O
|
I:HIS247
|
4.0
|
43.4
|
1.0
|
CD2
|
I:HIS124
|
4.1
|
46.3
|
1.0
|
NE2
|
I:HIS247
|
4.1
|
43.0
|
1.0
|
ND1
|
I:HIS172
|
4.3
|
38.6
|
1.0
|
CG
|
I:HIS172
|
4.3
|
38.5
|
1.0
|
HB2
|
I:ASP91
|
4.3
|
46.2
|
1.0
|
CB
|
I:ASP91
|
4.3
|
38.4
|
1.0
|
CD2
|
I:HIS247
|
4.3
|
42.6
|
1.0
|
C
|
I:HIS247
|
4.3
|
44.5
|
1.0
|
HD22
|
I:ASN123
|
4.4
|
47.9
|
1.0
|
CB
|
I:ASN123
|
4.4
|
39.9
|
1.0
|
HB3
|
I:ASN123
|
4.5
|
48.0
|
1.0
|
H
|
I:HIS124
|
4.5
|
49.2
|
1.0
|
N
|
I:ASN123
|
4.5
|
38.5
|
1.0
|
O
|
I:LEU204
|
4.6
|
39.5
|
1.0
|
H
|
I:HIS247
|
4.6
|
47.9
|
1.0
|
HB3
|
I:ASP91
|
4.6
|
46.2
|
1.0
|
N
|
I:HIS247
|
4.7
|
40.6
|
1.0
|
NE2
|
I:HIS124
|
4.7
|
43.2
|
1.0
|
CG
|
I:ASP63
|
4.7
|
36.6
|
1.0
|
HB3
|
I:HIS247
|
4.8
|
51.5
|
1.0
|
HE2
|
I:HIS247
|
4.8
|
50.8
|
1.0
|
OD1
|
I:ASP63
|
4.9
|
35.8
|
1.0
|
NE2
|
I:HIS65
|
5.0
|
46.3
|
1.0
|
CA
|
I:ASN123
|
5.0
|
38.8
|
1.0
|
|
Manganese binding site 8 out
of 12 in 6zej
Go back to
Manganese Binding Sites List in 6zej
Manganese binding site 8 out
of 12 in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)] within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Mn403
b:79.0
occ:1.00
|
NE2
|
I:HIS65
|
2.1
|
46.3
|
1.0
|
OD2
|
I:ASP63
|
2.3
|
41.0
|
1.0
|
OD2
|
I:ASP91
|
2.5
|
36.8
|
1.0
|
CE1
|
I:HIS65
|
3.1
|
45.4
|
1.0
|
CD2
|
I:HIS65
|
3.1
|
43.2
|
1.0
|
HE1
|
I:HIS65
|
3.2
|
54.6
|
1.0
|
MN
|
I:MN402
|
3.3
|
32.7
|
1.0
|
HD2
|
I:HIS65
|
3.3
|
52.0
|
1.0
|
HE2
|
I:PHE266
|
3.4
|
48.4
|
1.0
|
CG
|
I:ASP63
|
3.5
|
36.6
|
1.0
|
HB3
|
I:ASP91
|
3.6
|
46.2
|
1.0
|
CG
|
I:ASP91
|
3.6
|
36.7
|
1.0
|
HA
|
I:HIS247
|
3.8
|
48.3
|
1.0
|
HB3
|
I:ASP63
|
3.8
|
42.6
|
1.0
|
HH12
|
I:ARG95
|
3.9
|
67.2
|
1.0
|
HD2
|
I:HIS124
|
3.9
|
55.7
|
1.0
|
CB
|
I:ASP91
|
4.0
|
38.4
|
1.0
|
O
|
I:HIS247
|
4.0
|
43.4
|
1.0
|
HB2
|
I:ASP91
|
4.1
|
46.2
|
1.0
|
CB
|
I:ASP63
|
4.2
|
36.2
|
1.0
|
CD2
|
I:HIS124
|
4.2
|
46.3
|
1.0
|
ND1
|
I:HIS65
|
4.2
|
46.8
|
1.0
|
CE2
|
I:PHE266
|
4.2
|
40.6
|
1.0
|
CG
|
I:HIS65
|
4.3
|
40.6
|
1.0
|
NE2
|
I:HIS124
|
4.3
|
43.2
|
1.0
|
HE1
|
I:HIS172
|
4.3
|
46.2
|
1.0
|
HH11
|
I:ARG95
|
4.3
|
67.2
|
1.0
|
HZ
|
I:PHE266
|
4.4
|
47.9
|
1.0
|
NH1
|
I:ARG95
|
4.4
|
55.8
|
1.0
|
OD1
|
I:ASP63
|
4.4
|
35.8
|
1.0
|
HH
|
I:TYR271
|
4.5
|
52.5
|
1.0
|
OH
|
I:TYR271
|
4.5
|
43.6
|
1.0
|
C
|
I:HIS247
|
4.5
|
44.5
|
1.0
|
HB2
|
I:ASP63
|
4.6
|
42.6
|
1.0
|
CA
|
I:HIS247
|
4.6
|
41.0
|
1.0
|
ND1
|
I:HIS247
|
4.7
|
41.9
|
1.0
|
OD1
|
I:ASP91
|
4.7
|
37.5
|
1.0
|
NE2
|
I:HIS172
|
4.7
|
39.4
|
1.0
|
CZ
|
I:PHE266
|
4.7
|
40.6
|
1.0
|
CE1
|
I:HIS172
|
4.8
|
39.2
|
1.0
|
OD1
|
I:ASN123
|
5.0
|
39.8
|
1.0
|
HD21
|
I:ASN123
|
5.0
|
47.9
|
1.0
|
HD1
|
I:HIS65
|
5.0
|
56.3
|
1.0
|
H
|
I:HIS247
|
5.0
|
47.9
|
1.0
|
|
Manganese binding site 9 out
of 12 in 6zej
Go back to
Manganese Binding Sites List in 6zej
Manganese binding site 9 out
of 12 in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 9 of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)] within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Mn401
b:33.1
occ:1.00
|
OD1
|
L:ASN123
|
1.9
|
36.6
|
1.0
|
ND1
|
L:HIS247
|
2.1
|
37.4
|
1.0
|
NE2
|
L:HIS172
|
2.2
|
35.4
|
1.0
|
OD2
|
L:ASP91
|
2.3
|
34.5
|
1.0
|
O
|
L:HOH503
|
2.4
|
39.3
|
1.0
|
HE1
|
L:HIS247
|
2.7
|
37.8
|
1.0
|
CE1
|
L:HIS247
|
2.7
|
31.3
|
1.0
|
HA
|
L:HIS247
|
2.8
|
39.7
|
1.0
|
CG
|
L:ASN123
|
3.0
|
32.8
|
1.0
|
CG
|
L:ASP91
|
3.2
|
34.8
|
1.0
|
CD2
|
L:HIS172
|
3.2
|
35.0
|
1.0
|
CE1
|
L:HIS172
|
3.2
|
35.6
|
1.0
|
HD21
|
L:ASN123
|
3.2
|
40.2
|
1.0
|
CG
|
L:HIS247
|
3.3
|
33.4
|
1.0
|
HD2
|
L:HIS124
|
3.3
|
48.6
|
1.0
|
HD2
|
L:HIS172
|
3.3
|
41.2
|
1.0
|
MN
|
L:MN402
|
3.4
|
81.4
|
1.0
|
HE1
|
L:HIS172
|
3.4
|
41.9
|
1.0
|
ND2
|
L:ASN123
|
3.5
|
33.4
|
1.0
|
OD1
|
L:ASP91
|
3.5
|
35.1
|
1.0
|
CA
|
L:HIS247
|
3.6
|
32.9
|
1.0
|
H
|
L:ASN123
|
3.7
|
42.4
|
1.0
|
CB
|
L:HIS247
|
3.8
|
32.5
|
1.0
|
OD2
|
L:ASP63
|
3.9
|
42.0
|
1.0
|
HB2
|
L:HIS247
|
3.9
|
39.2
|
1.0
|
NE2
|
L:HIS247
|
4.0
|
34.1
|
1.0
|
O
|
L:HIS247
|
4.0
|
39.1
|
1.0
|
CD2
|
L:HIS124
|
4.2
|
40.4
|
1.0
|
CD2
|
L:HIS247
|
4.2
|
35.8
|
1.0
|
CB
|
L:ASN123
|
4.3
|
36.7
|
1.0
|
C
|
L:HIS247
|
4.3
|
37.4
|
1.0
|
ND1
|
L:HIS172
|
4.3
|
36.0
|
1.0
|
HB3
|
L:ASN123
|
4.3
|
44.2
|
1.0
|
CG
|
L:HIS172
|
4.3
|
35.0
|
1.0
|
HD22
|
L:ASN123
|
4.4
|
40.2
|
1.0
|
CB
|
L:ASP91
|
4.4
|
35.3
|
1.0
|
HB2
|
L:ASP91
|
4.4
|
41.5
|
1.0
|
N
|
L:ASN123
|
4.5
|
35.2
|
1.0
|
O
|
L:LEU204
|
4.5
|
34.5
|
1.0
|
H
|
L:HIS124
|
4.6
|
40.0
|
1.0
|
H
|
L:HIS247
|
4.6
|
42.0
|
1.0
|
HE2
|
L:HIS247
|
4.7
|
41.0
|
1.0
|
N
|
L:HIS247
|
4.7
|
34.9
|
1.0
|
HB3
|
L:ASP91
|
4.7
|
41.5
|
1.0
|
NE2
|
L:HIS124
|
4.7
|
35.8
|
1.0
|
HB3
|
L:HIS247
|
4.8
|
39.2
|
1.0
|
HH12
|
L:ARG220
|
4.8
|
50.9
|
1.0
|
CG
|
L:ASP63
|
4.8
|
35.7
|
1.0
|
CA
|
L:ASN123
|
4.9
|
36.4
|
1.0
|
HB2
|
L:ASN123
|
5.0
|
44.2
|
1.0
|
|
Manganese binding site 10 out
of 12 in 6zej
Go back to
Manganese Binding Sites List in 6zej
Manganese binding site 10 out
of 12 in the Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)]
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 10 of Structure of PP1-PHACTR1 Chimera [PP1(7-304) + Linker (Sgsgs) + PHACTR1(526-580)] within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
L:Mn402
b:81.4
occ:1.00
|
NE2
|
L:HIS65
|
2.0
|
38.1
|
1.0
|
O
|
L:HOH503
|
2.1
|
39.3
|
1.0
|
OD2
|
L:ASP63
|
2.4
|
42.0
|
1.0
|
OD2
|
L:ASP91
|
2.4
|
34.5
|
1.0
|
CE1
|
L:HIS65
|
3.0
|
37.1
|
1.0
|
CD2
|
L:HIS65
|
3.0
|
37.4
|
1.0
|
HE1
|
L:HIS65
|
3.2
|
44.1
|
1.0
|
HD2
|
L:HIS65
|
3.2
|
44.0
|
1.0
|
MN
|
L:MN401
|
3.4
|
33.1
|
1.0
|
HB3
|
L:ASP91
|
3.5
|
41.5
|
1.0
|
CG
|
L:ASP91
|
3.5
|
34.8
|
1.0
|
HE2
|
L:PHE266
|
3.5
|
42.9
|
1.0
|
CG
|
L:ASP63
|
3.6
|
35.7
|
1.0
|
HD2
|
L:HIS124
|
3.7
|
48.6
|
1.0
|
HB3
|
L:ASP63
|
3.8
|
43.0
|
1.0
|
HH12
|
L:ARG95
|
3.9
|
60.0
|
1.0
|
CB
|
L:ASP91
|
3.9
|
35.3
|
1.0
|
HA
|
L:HIS247
|
4.0
|
39.7
|
1.0
|
CD2
|
L:HIS124
|
4.0
|
40.4
|
1.0
|
HB2
|
L:ASP91
|
4.1
|
41.5
|
1.0
|
NE2
|
L:HIS124
|
4.1
|
35.8
|
1.0
|
ND1
|
L:HIS65
|
4.1
|
38.9
|
1.0
|
CG
|
L:HIS65
|
4.2
|
41.0
|
1.0
|
CB
|
L:ASP63
|
4.2
|
36.5
|
1.0
|
O
|
L:HIS247
|
4.3
|
39.1
|
1.0
|
HH
|
L:TYR271
|
4.3
|
55.4
|
1.0
|
OH
|
L:TYR271
|
4.3
|
46.0
|
1.0
|
HE1
|
L:HIS172
|
4.4
|
41.9
|
1.0
|
CE2
|
L:PHE266
|
4.4
|
35.6
|
1.0
|
HH11
|
L:ARG95
|
4.4
|
60.0
|
1.0
|
NH1
|
L:ARG95
|
4.4
|
49.9
|
1.0
|
HZ
|
L:PHE266
|
4.5
|
41.4
|
1.0
|
HB2
|
L:ASP63
|
4.5
|
43.0
|
1.0
|
OD1
|
L:ASP63
|
4.5
|
35.6
|
1.0
|
OD1
|
L:ASP91
|
4.6
|
35.1
|
1.0
|
OD1
|
L:ASN123
|
4.7
|
36.6
|
1.0
|
NE2
|
L:HIS172
|
4.7
|
35.4
|
1.0
|
ND1
|
L:HIS247
|
4.8
|
37.4
|
1.0
|
C
|
L:HIS247
|
4.8
|
37.4
|
1.0
|
CA
|
L:HIS247
|
4.8
|
32.9
|
1.0
|
CZ
|
L:PHE266
|
4.9
|
34.4
|
1.0
|
CE1
|
L:HIS172
|
4.9
|
35.6
|
1.0
|
HD1
|
L:HIS65
|
4.9
|
46.8
|
1.0
|
HD21
|
L:ASN123
|
4.9
|
40.2
|
1.0
|
CZ
|
L:TYR271
|
5.0
|
35.5
|
1.0
|
|
Reference:
R.O.Fedoryshchak,
M.Prechova,
A.Butler,
R.Lee,
N.O'reilly,
H.R.Flynn,
A.P.Snijders,
N.Eder,
S.Ultanir,
S.Mouilleron,
R.Treisman.
Molecular Basis For Substrate Specificity of the PHACTR1/PP1 Phosphatase Holoenzyme. Elife V. 9 2020.
ISSN: ESSN 2050-084X
PubMed: 32975518
DOI: 10.7554/ELIFE.61509
Page generated: Sun Oct 6 07:58:12 2024
|