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Manganese in PDB 8sw5: Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1

Enzymatic activity of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1

All present enzymatic activity of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1:
3.1.3.16;

Protein crystallography data

The structure of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1, PDB code: 8sw5 was solved by M.S.Choy, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.36 / 2.39
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 92.876, 92.876, 200.107, 90, 90, 90
R / Rfree (%) 21 / 25.2

Manganese Binding Sites:

The binding sites of Manganese atom in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1 (pdb code 8sw5). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1, PDB code: 8sw5:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 8sw5

Go back to Manganese Binding Sites List in 8sw5
Manganese binding site 1 out of 4 in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:43.4
occ:1.00
 NE2 A:HIS173 2.2 39.1 1.0
OD1 A:ASN124 2.2 47.0 1.0
O A:HOH516 2.2 46.8 1.0
ND1 A:HIS248 2.2 48.0 1.0
O2 A:PO4403 2.2 45.2 1.0
OD2 A:ASP92 2.3 46.7 1.0
CE1 A:HIS248 2.9 49.7 1.0
CE1 A:HIS173 3.1 40.7 1.0
CG A:ASN124 3.1 46.5 1.0
CD2 A:HIS173 3.2 47.5 1.0
CG A:ASP92 3.2 48.8 1.0
MN A:MN402 3.3 45.7 1.0
CG A:HIS248 3.4 45.0 1.0
P A:PO4403 3.4 55.4 1.0
ND2 A:ASN124 3.5 41.6 1.0
OD1 A:ASP92 3.5 44.9 1.0
O4 A:PO4403 3.5 46.9 1.0
CA A:HIS248 3.7 47.4 1.0
CB A:HIS248 3.9 44.7 1.0
OD2 A:ASP64 4.1 51.8 1.0
NE2 A:HIS248 4.1 50.1 1.0
O A:HIS248 4.2 52.7 1.0
O1 A:PO4403 4.2 55.2 1.0
ND1 A:HIS173 4.2 43.5 1.0
CG A:HIS173 4.3 43.7 1.0
CD2 A:HIS125 4.4 48.4 1.0
CD2 A:HIS248 4.4 45.7 1.0
C A:HIS248 4.4 50.4 1.0
CB A:ASP92 4.5 45.6 1.0
CB A:ASN124 4.5 46.2 1.0
N A:ASN124 4.6 39.0 1.0
O3 A:PO4403 4.6 43.2 1.0
N A:HIS248 4.7 39.9 1.0
O A:LEU205 4.7 49.8 1.0
CG A:ASP64 5.0 45.8 1.0

Manganese binding site 2 out of 4 in 8sw5

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Manganese binding site 2 out of 4 in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn402

b:45.7
occ:1.00
 O4 A:PO4403 2.0 46.9 1.0
OD2 A:ASP64 2.1 51.8 1.0
O A:HOH516 2.1 46.8 1.0
O A:HOH507 2.2 51.1 1.0
OD2 A:ASP92 2.2 46.7 1.0
NE2 A:HIS66 2.2 47.7 1.0
CD2 A:HIS66 3.2 44.6 1.0
CE1 A:HIS66 3.2 42.7 1.0
CG A:ASP92 3.2 48.8 1.0
P A:PO4403 3.3 55.4 1.0
CG A:ASP64 3.3 45.8 1.0
MN A:MN401 3.3 43.4 1.0
O2 A:PO4403 3.6 45.2 1.0
CB A:ASP92 3.6 45.6 1.0
O1 A:PO4403 3.9 55.2 1.0
CB A:ASP64 4.1 44.9 1.0
NH1 A:ARG96 4.1 55.5 1.0
OD1 A:ASP64 4.2 54.7 1.0
OH A:TYR272 4.2 60.0 1.0
ND1 A:HIS66 4.3 45.0 1.0
OD1 A:ASP92 4.3 44.9 1.0
CG A:HIS66 4.3 47.2 1.0
CD2 A:HIS125 4.3 48.4 1.0
O3 A:PO4403 4.4 43.2 1.0
NE2 A:HIS173 4.5 39.1 1.0
CE1 A:HIS173 4.5 40.7 1.0
NE2 A:HIS125 4.6 44.3 1.0
CE1 A:PHE267 4.7 49.4 1.0
O A:HIS248 4.8 52.7 1.0
CA A:HIS248 4.8 47.4 1.0
C A:HIS248 4.9 50.4 1.0
OD1 A:ASN124 5.0 47.0 1.0

Manganese binding site 3 out of 4 in 8sw5

Go back to Manganese Binding Sites List in 8sw5
Manganese binding site 3 out of 4 in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:67.7
occ:1.00
 OD2 B:ASP64 2.2 66.6 1.0
O B:HOH513 2.2 63.0 1.0
O B:HOH506 2.2 57.1 1.0
NE2 B:HIS66 2.2 67.3 1.0
OD2 B:ASP92 2.3 59.9 1.0
O1 B:PO4403 2.5 62.1 1.0
CD2 B:HIS66 3.1 60.7 1.0
CE1 B:HIS66 3.2 54.6 1.0
MN B:MN402 3.3 55.1 1.0
CG B:ASP92 3.3 54.0 1.0
O3 B:PO4403 3.3 56.6 1.0
CG B:ASP64 3.3 64.5 1.0
P B:PO4403 3.4 61.1 1.0
CB B:ASP92 3.7 58.1 1.0
O4 B:PO4403 3.9 62.6 1.0
CB B:ASP64 4.1 62.7 1.0
OH B:TYR272 4.1 77.2 1.0
NH1 B:ARG96 4.2 60.1 1.0
OD1 B:ASP64 4.2 68.5 1.0
CD2 B:HIS125 4.3 54.6 1.0
CG B:HIS66 4.3 63.5 1.0
ND1 B:HIS66 4.3 59.0 1.0
OD1 B:ASP92 4.4 49.1 1.0
NE2 B:HIS125 4.5 57.5 1.0
NE2 B:HIS173 4.5 49.7 1.0
CE1 B:HIS173 4.5 49.8 1.0
O2 B:PO4403 4.7 61.4 1.0
CE1 B:PHE267 4.8 68.0 1.0
CA B:HIS248 4.9 66.1 1.0
O B:HIS248 4.9 69.3 1.0
ND1 B:HIS248 5.0 65.4 1.0
OD1 B:ASN124 5.0 49.7 1.0
CZ B:TYR272 5.0 76.3 1.0

Manganese binding site 4 out of 4 in 8sw5

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Manganese binding site 4 out of 4 in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn402

b:55.1
occ:1.00
 O3 B:PO4403 2.0 56.6 1.0
O B:HOH506 2.2 57.1 1.0
OD2 B:ASP92 2.2 59.9 1.0
OD1 B:ASN124 2.2 49.7 1.0
NE2 B:HIS173 2.2 49.7 1.0
ND1 B:HIS248 2.2 65.4 1.0
CE1 B:HIS248 2.9 59.3 1.0
CG B:ASN124 3.1 48.7 1.0
CE1 B:HIS173 3.1 49.8 1.0
CG B:ASP92 3.2 54.0 1.0
CD2 B:HIS173 3.2 55.3 1.0
MN B:MN401 3.3 67.7 1.0
ND2 B:ASN124 3.3 50.3 1.0
P B:PO4403 3.3 61.1 1.0
CG B:HIS248 3.5 60.6 1.0
OD1 B:ASP92 3.6 49.1 1.0
CA B:HIS248 3.8 66.1 1.0
O1 B:PO4403 3.9 62.1 1.0
O4 B:PO4403 3.9 62.6 1.0
OD2 B:ASP64 3.9 66.6 1.0
CB B:HIS248 4.0 59.7 1.0
NE2 B:HIS248 4.1 57.6 1.0
CD2 B:HIS125 4.2 54.6 1.0
ND1 B:HIS173 4.3 58.9 1.0
O B:HIS248 4.3 69.3 1.0
CG B:HIS173 4.3 58.7 1.0
CD2 B:HIS248 4.4 62.4 1.0
O2 B:PO4403 4.4 61.4 1.0
CB B:ASP92 4.4 58.1 1.0
CB B:ASN124 4.5 47.1 1.0
C B:HIS248 4.5 62.3 1.0
N B:ASN124 4.7 52.6 1.0
O B:LEU205 4.8 60.8 1.0
CG B:ASP64 4.8 64.5 1.0
N B:HIS248 4.8 61.1 1.0
NE2 B:HIS125 4.9 57.5 1.0
OD1 B:ASP64 4.9 68.5 1.0

Reference:

M.S.Choy, H.T.Nguyen, A.N.Kettenbach, W.Peti, R.Page. A Protein Phosphatase 1 Specific Phosphatase Targeting Peptide (Phostap) to Identify the PP1 Phosphatome To Be Published.
Page generated: Sun Oct 6 13:54:33 2024

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