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Manganese in PDB 3hvq: Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin

Enzymatic activity of Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin

All present enzymatic activity of Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin:
3.1.3.16;

Protein crystallography data

The structure of Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin, PDB code: 3hvq was solved by D.A.Critton, M.J.Ragusa, R.Page, W.Peti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 120.864, 83.655, 108.797, 90.00, 93.59, 90.00
R / Rfree (%) 16.1 / 22.1

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin (pdb code 3hvq). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin, PDB code: 3hvq:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 3hvq

Go back to Manganese Binding Sites List in 3hvq
Manganese binding site 1 out of 4 in the Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin


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 A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn1

b:24.9
occ:1.00
 OD2 A:ASP64 2.1 13.3 1.0
O A:HOH335 2.1 25.6 1.0
NE2 A:HIS66 2.2 13.9 1.0
O1 A:PO4332 2.3 19.8 1.0
OD2 A:ASP92 2.3 11.1 1.0
O A:HOH333 2.4 30.5 1.0
CE1 A:HIS66 3.1 15.0 1.0
CD2 A:HIS66 3.2 12.1 1.0
CG A:ASP64 3.2 15.5 1.0
MN A:MN331 3.3 14.7 1.0
CG A:ASP92 3.3 6.6 1.0
P A:PO4332 3.4 21.9 1.0
CB A:ASP92 3.7 9.9 1.0
O4 A:PO4332 3.7 22.4 1.0
CB A:ASP64 4.0 16.3 1.0
O2 A:PO4332 4.1 24.3 1.0
OD1 A:ASP64 4.2 16.9 1.0
O A:HOH507 4.2 34.7 1.0
ND1 A:HIS66 4.3 12.5 1.0
CD2 A:HIS125 4.3 6.3 1.0
CG A:HIS66 4.4 14.4 1.0
OH A:TYR272 4.4 32.8 1.0
NE2 A:HIS173 4.4 10.5 1.0
OD1 A:ASP92 4.4 11.7 1.0
O A:HIS248 4.5 17.5 1.0
CE2 A:PHE267 4.5 15.1 1.0
NE2 A:HIS125 4.5 18.1 1.0
CE1 A:HIS173 4.6 12.4 1.0
O3 A:PO4332 4.6 30.7 1.0
CA A:HIS248 4.7 13.5 1.0
NH1 A:ARG96 4.7 46.6 1.0
C A:HIS248 4.8 14.6 1.0
OD1 A:ASN124 4.9 12.2 1.0
ND1 A:HIS248 5.0 11.9 1.0

Manganese binding site 2 out of 4 in 3hvq

Go back to Manganese Binding Sites List in 3hvq
Manganese binding site 2 out of 4 in the Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin


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 A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn331

b:14.7
occ:1.00
 O A:HOH335 1.9 25.6 1.0
OD1 A:ASN124 2.1 12.2 1.0
NE2 A:HIS173 2.2 10.5 1.0
OD2 A:ASP92 2.2 11.1 1.0
O4 A:PO4332 2.3 22.4 1.0
ND1 A:HIS248 2.3 11.9 1.0
CE1 A:HIS248 3.1 16.0 1.0
CD2 A:HIS173 3.1 9.2 1.0
CG A:ASN124 3.1 13.5 1.0
CG A:ASP92 3.2 6.6 1.0
CE1 A:HIS173 3.3 12.4 1.0
MN A:MN1 3.3 24.9 1.0
P A:PO4332 3.4 21.9 1.0
CG A:HIS248 3.5 11.6 1.0
OD1 A:ASP92 3.5 11.7 1.0
ND2 A:ASN124 3.6 9.0 1.0
O1 A:PO4332 3.6 19.8 1.0
CA A:HIS248 3.8 13.5 1.0
CB A:HIS248 4.0 14.1 1.0
OD2 A:ASP64 4.1 13.3 1.0
O2 A:PO4332 4.2 24.3 1.0
CD2 A:HIS125 4.2 6.3 1.0
O A:HIS248 4.2 17.5 1.0
NE2 A:HIS248 4.3 11.1 1.0
CG A:HIS173 4.3 13.8 1.0
ND1 A:HIS173 4.3 12.2 1.0
CB A:ASN124 4.4 10.7 1.0
CB A:ASP92 4.4 9.9 1.0
N A:ASN124 4.4 12.1 1.0
CD2 A:HIS248 4.5 11.2 1.0
C A:HIS248 4.5 14.6 1.0
O3 A:PO4332 4.5 30.7 1.0
O A:LEU205 4.7 14.6 1.0
NE2 A:HIS125 4.8 18.1 1.0
N A:HIS248 4.9 11.3 1.0
CA A:ASN124 4.9 11.6 1.0
CG A:ASP64 5.0 15.5 1.0

Manganese binding site 3 out of 4 in 3hvq

Go back to Manganese Binding Sites List in 3hvq
Manganese binding site 3 out of 4 in the Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin


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 A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn331

b:28.4
occ:1.00
 O B:HOH338 1.9 28.5 1.0
OD2 B:ASP64 2.2 18.0 1.0
NE2 B:HIS66 2.2 11.0 1.0
O2 B:PO4333 2.3 17.6 1.0
O B:HOH337 2.4 32.7 1.0
OD2 B:ASP92 2.4 10.8 1.0
CD2 B:HIS66 3.0 11.0 1.0
MN B:MN332 3.3 12.9 1.0
CE1 B:HIS66 3.3 12.1 1.0
CG B:ASP64 3.3 12.9 1.0
P B:PO4333 3.4 18.9 1.0
CG B:ASP92 3.4 14.4 1.0
O3 B:PO4333 3.5 17.0 1.0
CB B:ASP92 3.7 9.2 1.0
O1 B:PO4333 4.0 20.6 1.0
CB B:ASP64 4.1 13.7 1.0
OH B:TYR272 4.1 26.2 1.0
O B:HOH516 4.2 26.6 1.0
CG B:HIS66 4.2 11.4 1.0
OD1 B:ASP64 4.2 14.8 1.0
ND1 B:HIS66 4.3 11.4 1.0
NH1 B:ARG96 4.3 29.8 1.0
O B:HIS248 4.4 18.5 1.0
CD2 B:HIS125 4.4 7.7 1.0
CE2 B:PHE267 4.5 15.1 1.0
CE1 B:HIS173 4.5 9.7 1.0
NE2 B:HIS173 4.5 11.5 1.0
O4 B:PO4333 4.5 19.8 1.0
OD1 B:ASP92 4.6 9.2 1.0
CA B:HIS248 4.6 11.9 1.0
NE2 B:HIS125 4.7 11.1 1.0
C B:HIS248 4.8 16.4 1.0
CZ B:TYR272 4.9 22.7 1.0
CZ B:PHE267 4.9 19.6 1.0
ND1 B:HIS248 4.9 12.2 1.0
OD1 B:ASN124 4.9 13.4 1.0

Manganese binding site 4 out of 4 in 3hvq

Go back to Manganese Binding Sites List in 3hvq
Manganese binding site 4 out of 4 in the Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin


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 A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Neurabin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn332

b:12.9
occ:1.00
 OD1 B:ASN124 2.1 13.4 1.0
O B:HOH338 2.1 28.5 1.0
O3 B:PO4333 2.2 17.0 1.0
NE2 B:HIS173 2.2 11.5 1.0
OD2 B:ASP92 2.2 10.8 1.0
ND1 B:HIS248 2.3 12.2 1.0
CE1 B:HIS248 3.0 16.1 1.0
CE1 B:HIS173 3.1 9.7 1.0
CG B:ASN124 3.1 11.3 1.0
CG B:ASP92 3.2 14.4 1.0
CD2 B:HIS173 3.2 6.7 1.0
MN B:MN331 3.3 28.4 1.0
P B:PO4333 3.4 18.9 1.0
CG B:HIS248 3.4 12.6 1.0
ND2 B:ASN124 3.6 14.3 1.0
OD1 B:ASP92 3.7 9.2 1.0
O2 B:PO4333 3.7 17.6 1.0
CA B:HIS248 3.8 11.9 1.0
CB B:HIS248 3.9 10.2 1.0
O1 B:PO4333 4.0 20.6 1.0
OD2 B:ASP64 4.1 18.0 1.0
CD2 B:HIS125 4.2 7.7 1.0
O B:HIS248 4.2 18.5 1.0
NE2 B:HIS248 4.2 12.0 1.0
ND1 B:HIS173 4.3 7.7 1.0
CG B:HIS173 4.3 11.3 1.0
CB B:ASP92 4.4 9.2 1.0
CB B:ASN124 4.4 12.0 1.0
CD2 B:HIS248 4.4 7.3 1.0
N B:ASN124 4.5 11.9 1.0
C B:HIS248 4.5 16.4 1.0
O4 B:PO4333 4.6 19.8 1.0
O B:LEU205 4.7 14.9 1.0
NE2 B:HIS125 4.8 11.1 1.0
N B:HIS248 4.8 12.8 1.0
NE2 B:HIS66 4.9 11.0 1.0
CA B:ASN124 5.0 10.8 1.0
CG B:ASP64 5.0 12.9 1.0

Reference:

M.J.Ragusa, B.Dancheck, D.A.Critton, A.C.Nairn, R.Page, W.Peti. Spinophilin Directs Protein Phosphatase 1 Specificity By Blocking Substrate Binding Sites. Nat.Struct.Mol.Biol. V. 17 459 2010.
ISSN: ISSN 1545-9993
PubMed: 20305656
DOI: 10.1038/NSMB.1786
Page generated: Sat Oct 5 16:32:25 2024

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