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Manganese in PDB 8sw6: Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 3

Enzymatic activity of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 3

All present enzymatic activity of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 3:
3.1.3.16;

Protein crystallography data

The structure of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 3, PDB code: 8sw6 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) 39.59 / 1.76
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 92.004, 92.004, 199.581, 90, 90, 90
R / Rfree (%) 17.5 / 20.8

Other elements in 8sw6:

The structure of Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 3 also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 3 (pdb code 8sw6). 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 3, PDB code: 8sw6:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 8sw6

Go back to Manganese Binding Sites List in 8sw6
Manganese binding site 1 out of 4 in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 3


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 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:18.9
occ:1.00
 O A:HOH506 2.1 26.8 1.0
OD1 A:ASN124 2.1 19.0 1.0
NE2 A:HIS173 2.1 18.0 1.0
OD2 A:ASP92 2.2 18.6 1.0
ND1 A:HIS248 2.3 21.5 1.0
O2 A:SO4403 2.4 24.7 0.6
CE1 A:HIS248 3.1 22.4 1.0
CE1 A:HIS173 3.1 21.3 1.0
CD2 A:HIS173 3.1 19.3 1.0
CG A:ASP92 3.1 18.1 1.0
CG A:ASN124 3.2 20.2 1.0
MN A:MN402 3.3 19.1 0.8
CG A:HIS248 3.4 19.2 1.0
OD1 A:ASP92 3.5 18.0 1.0
S A:SO4403 3.5 28.0 0.6
O4 A:SO4403 3.7 26.5 0.6
ND2 A:ASN124 3.7 21.2 1.0
CA A:HIS248 3.7 18.1 1.0
CB A:HIS248 3.9 20.3 1.0
OD2 A:ASP64 4.0 20.7 1.0
O A:HIS248 4.1 22.6 1.0
O1 A:SO4403 4.1 36.1 0.6
ND1 A:HIS173 4.2 19.1 1.0
CD2 A:HIS125 4.3 20.3 1.0
CG A:HIS173 4.3 17.7 1.0
NE2 A:HIS248 4.3 19.8 1.0
N A:ASN124 4.4 17.3 1.0
C A:HIS248 4.4 24.1 1.0
CB A:ASP92 4.4 17.1 1.0
CB A:ASN124 4.4 19.4 1.0
CD2 A:HIS248 4.5 18.2 1.0
O A:LEU205 4.6 19.8 1.0
O3 A:SO4403 4.7 33.7 0.6
N A:HIS248 4.7 18.6 1.0
NE2 A:HIS125 4.9 19.9 1.0
CG A:ASP64 4.9 21.5 1.0
CA A:ASN124 5.0 19.1 1.0

Manganese binding site 2 out of 4 in 8sw6

Go back to Manganese Binding Sites List in 8sw6
Manganese binding site 2 out of 4 in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 3


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 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn402

b:19.1
occ:0.81
 O A:HOH506 2.0 26.8 1.0
OD2 A:ASP64 2.1 20.7 1.0
NE2 A:HIS66 2.2 20.1 1.0
O A:HOH636 2.2 24.6 1.0
OD2 A:ASP92 2.3 18.6 1.0
O4 A:SO4403 2.4 26.5 0.6
CE1 A:HIS66 3.1 18.6 1.0
CD2 A:HIS66 3.2 18.6 1.0
CG A:ASP92 3.3 18.1 1.0
CG A:ASP64 3.3 21.5 1.0
MN A:MN401 3.3 18.9 1.0
S A:SO4403 3.6 28.0 0.6
CB A:ASP92 3.7 17.1 1.0
O2 A:SO4403 3.7 24.7 0.6
CB A:ASP64 4.0 18.5 1.0
O1 A:SO4403 4.0 36.1 0.6
O A:HOH503 4.1 46.1 1.0
OD1 A:ASP64 4.2 20.8 1.0
ND1 A:HIS66 4.2 19.5 1.0
O A:HIS248 4.3 22.6 1.0
CG A:HIS66 4.3 17.4 1.0
NH1 A:ARG96 4.3 35.5 1.0
CE2 A:PHE267 4.4 22.0 1.0
OD1 A:ASP92 4.4 18.0 1.0
OH A:TYR272 4.4 32.4 1.0
CD2 A:HIS125 4.4 20.3 1.0
NE2 A:HIS173 4.5 18.0 1.0
CE1 A:HIS173 4.6 21.3 1.0
CA A:HIS248 4.6 18.1 1.0
NE2 A:HIS125 4.6 19.9 1.0
C A:HIS248 4.7 24.1 1.0
O3 A:SO4403 4.8 33.7 0.6
OD1 A:ASN124 4.9 19.0 1.0
ND1 A:HIS248 5.0 21.5 1.0
CZ A:PHE267 5.0 23.1 1.0

Manganese binding site 3 out of 4 in 8sw6

Go back to Manganese Binding Sites List in 8sw6
Manganese binding site 3 out of 4 in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 3


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 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:23.9
occ:1.00
 O B:HOH503 2.0 28.3 1.0
OD1 B:ASN124 2.1 23.5 1.0
NE2 B:HIS173 2.2 22.7 1.0
ND1 B:HIS248 2.2 24.3 1.0
OD2 B:ASP92 2.3 25.4 1.0
O4 B:SO4403 2.3 28.5 0.7
CE1 B:HIS248 3.0 26.9 1.0
CD2 B:HIS173 3.1 20.1 1.0
CG B:ASN124 3.2 27.0 1.0
CG B:ASP92 3.2 23.1 1.0
CE1 B:HIS173 3.2 22.4 1.0
MN B:MN402 3.3 25.0 0.8
CG B:HIS248 3.4 27.7 1.0
S B:SO4403 3.5 33.7 0.7
OD1 B:ASP92 3.5 23.4 1.0
ND2 B:ASN124 3.7 21.5 1.0
O1 B:SO4403 3.7 36.2 0.7
CA B:HIS248 3.7 26.1 1.0
CB B:HIS248 3.8 22.4 1.0
O B:HIS248 4.0 29.8 1.0
O3 B:SO4403 4.1 34.9 0.7
OD2 B:ASP64 4.1 30.1 1.0
NE2 B:HIS248 4.2 27.5 1.0
CD2 B:HIS125 4.2 21.4 1.0
ND1 B:HIS173 4.3 23.4 1.0
CG B:HIS173 4.3 24.0 1.0
C B:HIS248 4.4 34.2 1.0
CD2 B:HIS248 4.4 22.5 1.0
CB B:ASP92 4.5 22.6 1.0
N B:ASN124 4.5 23.0 1.0
CB B:ASN124 4.5 23.9 1.0
O B:LEU205 4.6 22.1 1.0
O2 B:SO4403 4.6 38.4 0.7
N B:HIS248 4.7 27.3 1.0
NE2 B:HIS125 4.8 22.3 1.0
O B:HOH536 4.9 31.8 1.0
CG B:ASP64 5.0 30.6 1.0

Manganese binding site 4 out of 4 in 8sw6

Go back to Manganese Binding Sites List in 8sw6
Manganese binding site 4 out of 4 in the Protein Phosphatase 1 in Complex with PP1-Specific Phosphatase Targeting Peptide (Phostap) Version 3


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 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn402

b:25.0
occ:0.78
 O B:HOH503 2.1 28.3 1.0
OD2 B:ASP64 2.2 30.1 1.0
O B:HOH536 2.2 31.8 1.0
NE2 B:HIS66 2.2 24.5 1.0
OD2 B:ASP92 2.2 25.4 1.0
O1 B:SO4403 2.4 36.2 0.7
CE1 B:HIS66 3.1 30.8 1.0
CD2 B:HIS66 3.2 26.2 1.0
CG B:ASP92 3.3 23.1 1.0
MN B:MN401 3.3 23.9 1.0
CG B:ASP64 3.3 30.6 1.0
S B:SO4403 3.5 33.7 0.7
O4 B:SO4403 3.7 28.5 0.7
CB B:ASP92 3.7 22.6 1.0
O3 B:SO4403 4.0 34.9 0.7
CB B:ASP64 4.1 24.5 1.0
ND1 B:HIS66 4.2 25.7 1.0
OD1 B:ASP64 4.2 30.7 1.0
O B:HIS248 4.3 29.8 1.0
CG B:HIS66 4.3 26.5 1.0
CD2 B:HIS125 4.3 21.4 1.0
NH1 B:ARG96 4.4 41.5 1.0
OD1 B:ASP92 4.4 23.4 1.0
CE1 B:PHE267 4.4 29.4 1.0
OH B:TYR272 4.4 38.9 1.0
NE2 B:HIS173 4.5 22.7 1.0
NE2 B:HIS125 4.5 22.3 1.0
CE1 B:HIS173 4.5 22.4 1.0
CA B:HIS248 4.6 26.1 1.0
C B:HIS248 4.7 34.2 1.0
O2 B:SO4403 4.7 38.4 0.7
OD1 B:ASN124 4.9 23.5 1.0
ND1 B:HIS248 4.9 24.3 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 13:54:32 2024

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