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

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

All present enzymatic activity of Crystal Structure of A Complex Between Protein Phosphatase 1 Alpha (PP1) and the PP1 Binding and Pdz Domains of Spinophilin:
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 Spinophilin, PDB code: 3egg was solved by 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) 27.53 / 1.85
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 119.675, 84.418, 109.164, 90.00, 93.50, 90.00
R / Rfree (%) 17.9 / 21.1

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 Spinophilin (pdb code 3egg). 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 Spinophilin, PDB code: 3egg:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 3egg

Go back to Manganese Binding Sites List in 3egg
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 Spinophilin


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 Spinophilin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn400

b:28.1
occ:0.50
 O A:HOH457 1.9 31.5 1.0
OD2 A:ASP64 2.1 26.4 1.0
NE2 A:HIS66 2.1 28.2 1.0
OD2 A:ASP92 2.2 24.3 1.0
O A:HOH458 2.5 38.7 1.0
O1S A:MES403 2.6 25.6 0.5
CE1 A:HIS66 3.0 28.5 1.0
MN A:MN402 3.0 19.6 1.0
CD2 A:HIS66 3.2 27.0 1.0
CG A:ASP92 3.2 23.2 1.0
O3S A:MES403 3.2 18.7 0.5
CG A:ASP64 3.3 24.3 1.0
S A:MES403 3.4 27.2 0.5
CB A:ASP92 3.6 24.3 1.0
CD2 A:HIS125 4.1 24.5 1.0
OD1 A:ASP64 4.1 24.9 1.0
CB A:ASP64 4.1 22.8 1.0
O2S A:MES403 4.1 24.2 0.5
ND1 A:HIS66 4.2 25.5 1.0
CG A:HIS66 4.3 24.0 1.0
NE2 A:HIS173 4.3 21.9 1.0
OD1 A:ASP92 4.3 23.9 1.0
NE2 A:HIS125 4.4 26.2 1.0
CE1 A:HIS173 4.4 22.4 1.0
OH A:TYR272 4.5 25.9 1.0
OD1 A:ASN124 4.6 21.1 1.0
CE2 A:PHE267 4.7 22.9 1.0
CA A:HIS248 4.7 23.0 1.0
O A:HIS248 4.7 23.5 1.0
C8 A:MES403 4.9 26.0 0.5
ND1 A:HIS248 4.9 20.4 1.0
C A:HIS248 4.9 23.3 1.0

Manganese binding site 2 out of 4 in 3egg

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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 Spinophilin


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

b:19.6
occ:1.00
 OD1 A:ASN124 2.0 21.1 1.0
NE2 A:HIS173 2.1 21.9 1.0
OD2 A:ASP92 2.2 24.3 1.0
O A:HOH457 2.2 31.5 1.0
O3S A:MES403 2.3 18.7 0.5
ND1 A:HIS248 2.4 20.4 1.0
MN A:MN400 3.0 28.1 0.5
CE1 A:HIS173 3.1 22.4 1.0
CD2 A:HIS173 3.1 22.2 1.0
CG A:ASN124 3.1 22.1 1.0
CG A:ASP92 3.2 23.2 1.0
CE1 A:HIS248 3.2 23.9 1.0
CG A:HIS248 3.4 23.2 1.0
OD1 A:ASP92 3.6 23.9 1.0
S A:MES403 3.6 27.2 0.5
ND2 A:ASN124 3.6 21.3 1.0
CA A:HIS248 3.7 23.0 1.0
CB A:HIS248 3.8 22.5 1.0
OD2 A:ASP64 4.0 26.4 1.0
O1S A:MES403 4.0 25.6 0.5
O A:HIS248 4.2 23.5 1.0
CD2 A:HIS125 4.2 24.5 1.0
ND1 A:HIS173 4.2 24.1 1.0
O2S A:MES403 4.2 24.2 0.5
CG A:HIS173 4.3 23.1 1.0
CB A:ASP92 4.4 24.3 1.0
CB A:ASN124 4.4 21.8 1.0
NE2 A:HIS248 4.4 23.8 1.0
C A:HIS248 4.5 23.3 1.0
CD2 A:HIS248 4.5 22.2 1.0
N A:ASN124 4.5 21.6 1.0
N A:HIS248 4.7 22.6 1.0
O A:LEU205 4.7 23.6 1.0
O A:HOH458 4.8 38.7 1.0
CG A:ASP64 4.8 24.3 1.0
NE2 A:HIS125 4.9 26.2 1.0
C8 A:MES403 4.9 26.0 0.5
NE2 A:HIS66 4.9 28.2 1.0
OD1 A:ASP64 4.9 24.9 1.0
CA A:ASN124 5.0 22.2 1.0

Manganese binding site 3 out of 4 in 3egg

Go back to Manganese Binding Sites List in 3egg
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 Spinophilin


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

b:25.5
occ:0.50
 O B:HOH653 1.7 22.2 1.0
OD2 B:ASP64 2.1 26.9 1.0
OD2 B:ASP92 2.2 22.1 1.0
NE2 B:HIS66 2.2 27.2 1.0
O B:HOH654 2.3 33.0 1.0
O1S B:MES404 2.6 23.0 0.5
MN B:MN403 3.0 14.7 1.0
CD2 B:HIS66 3.1 23.8 1.0
O3S B:MES404 3.2 13.2 0.5
CE1 B:HIS66 3.3 25.3 1.0
CG B:ASP64 3.3 25.9 1.0
CG B:ASP92 3.3 23.1 1.0
S B:MES404 3.3 23.0 0.5
CB B:ASP92 3.7 23.1 1.0
O2S B:MES404 3.8 22.0 0.5
OD1 B:ASP64 4.1 25.7 1.0
CB B:ASP64 4.2 23.7 1.0
CD2 B:HIS125 4.2 22.3 1.0
NE2 B:HIS173 4.3 22.3 1.0
CG B:HIS66 4.3 24.2 1.0
ND1 B:HIS66 4.4 26.4 1.0
OD1 B:ASP92 4.4 21.1 1.0
CE1 B:HIS173 4.4 22.7 1.0
NE2 B:HIS125 4.4 22.8 1.0
OH B:TYR272 4.4 30.7 1.0
O B:HIS248 4.5 24.7 1.0
CE2 B:PHE267 4.6 20.4 1.0
CA B:HIS248 4.6 23.5 1.0
NH1 B:ARG96 4.7 42.7 0.8
ND1 B:HIS248 4.8 21.6 1.0
OD1 B:ASN124 4.8 22.5 1.0
C B:HIS248 4.8 23.7 1.0
C8 B:MES404 4.9 25.3 0.5

Manganese binding site 4 out of 4 in 3egg

Go back to Manganese Binding Sites List in 3egg
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 Spinophilin


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 Spinophilin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn403

b:14.7
occ:1.00
 O3S B:MES404 2.1 13.2 0.5
OD1 B:ASN124 2.1 22.5 1.0
NE2 B:HIS173 2.2 22.3 1.0
OD2 B:ASP92 2.2 22.1 1.0
O B:HOH653 2.3 22.2 1.0
ND1 B:HIS248 2.3 21.6 1.0
MN B:MN401 3.0 25.5 0.5
CE1 B:HIS248 3.1 20.7 1.0
CG B:ASP92 3.1 23.1 1.0
CE1 B:HIS173 3.1 22.7 1.0
CD2 B:HIS173 3.1 22.5 1.0
CG B:ASN124 3.2 22.0 1.0
S B:MES404 3.4 23.0 0.5
CG B:HIS248 3.5 21.2 1.0
OD1 B:ASP92 3.5 21.1 1.0
ND2 B:ASN124 3.7 23.0 1.0
CA B:HIS248 3.8 23.5 1.0
O1S B:MES404 3.8 23.0 0.5
CB B:HIS248 3.9 23.5 1.0
O2S B:MES404 4.0 22.0 0.5
OD2 B:ASP64 4.0 26.9 1.0
CD2 B:HIS125 4.1 22.3 1.0
O B:HIS248 4.2 24.7 1.0
ND1 B:HIS173 4.3 22.8 1.0
CG B:HIS173 4.3 22.8 1.0
NE2 B:HIS248 4.3 20.8 1.0
CB B:ASP92 4.4 23.1 1.0
CD2 B:HIS248 4.5 21.8 1.0
CB B:ASN124 4.5 22.2 1.0
C B:HIS248 4.5 23.7 1.0
N B:ASN124 4.5 22.1 1.0
C8 B:MES404 4.6 25.3 0.5
O B:HOH654 4.7 33.0 1.0
NE2 B:HIS125 4.7 22.8 1.0
O B:LEU205 4.7 22.8 1.0
N B:HIS248 4.8 23.4 1.0
NE2 B:HIS66 4.8 27.2 1.0
CG B:ASP64 4.9 25.9 1.0
OD1 B:ASP64 4.9 25.7 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: Tue Dec 15 04:09:10 2020

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