Manganese in PDB 4moy: Structure of A Second Nuclear PP1 Holoenzyme, Crystal Form 1

All present enzymatic activity of Structure of A Second Nuclear PP1 Holoenzyme, Crystal Form 1:
3.1.3.16;

The structure of Structure of A Second Nuclear PP1 Holoenzyme, Crystal Form 1, PDB code: 4moy was solved by M.S.Choy, M.Hieke, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.98 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.788, 130.788, 47.725, 90.00, 90.00, 120.00
R / Rfree (%)	15.1 / 18.5

The structure of Structure of A Second Nuclear PP1 Holoenzyme, Crystal Form 1 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Manganese atom in the Structure of A Second Nuclear PP1 Holoenzyme, Crystal Form 1 (pdb code 4moy). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Structure of A Second Nuclear PP1 Holoenzyme, Crystal Form 1, PDB code: 4moy:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Structure of A Second Nuclear PP1 Holoenzyme, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of A Second Nuclear PP1 Holoenzyme, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:38.1 occ:0.82 O A:HOH634 2.1 28.1 1.0 OD2 A:ASP92 2.2 20.8 1.0 OD2 A:ASP64 2.2 24.3 1.0 O A:HOH633 2.2 41.2 1.0 NE2 A:HIS66 2.3 30.4 1.0 O3 A:PO4404 2.4 55.9 0.7 MN A:MN402 3.1 26.1 1.0 CE1 A:HIS66 3.2 27.4 1.0 CG A:ASP92 3.3 23.5 1.0 P A:PO4404 3.3 44.3 1.0 CD2 A:HIS66 3.4 20.2 1.0 CG A:ASP64 3.4 26.0 1.0 O4 A:PO4404 3.5 34.9 0.9 O1 A:PO4404 3.6 46.4 0.9 CB A:ASP92 3.8 18.3 1.0 CB A:ASP64 4.2 20.2 1.0 O A:HIS248 4.2 33.0 1.0 NH1 A:ARG96 4.3 47.0 1.0 ND1 A:HIS66 4.3 27.9 1.0 OD1 A:ASP92 4.3 24.1 1.0 OD1 A:ASP64 4.4 26.7 1.0 CD2 A:HIS125 4.4 26.3 1.0 NE2 A:HIS173 4.4 27.4 1.0 CG A:HIS66 4.5 26.1 1.0 OH A:TYR272 4.5 38.7 1.0 CE1 A:HIS173 4.5 26.7 1.0 NE2 A:HIS125 4.6 31.2 1.0 CE1 A:PHE267 4.6 29.3 1.0 CA A:HIS248 4.6 22.8 1.0 O2 A:PO4404 4.7 51.6 0.8 ND1 A:HIS248 4.7 28.9 1.0 C A:HIS248 4.7 31.3 1.0 OD1 A:ASN124 4.9 31.1 1.0

Manganese binding site 2 out of 2 in the Structure of A Second Nuclear PP1 Holoenzyme, Crystal Form 1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of A Second Nuclear PP1 Holoenzyme, Crystal Form 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:26.1 occ:1.00 O4 A:PO4404 2.1 34.9 0.9 O A:HOH634 2.1 28.1 1.0 NE2 A:HIS173 2.2 27.4 1.0 OD1 A:ASN124 2.2 31.1 1.0 ND1 A:HIS248 2.2 28.9 1.0 OD2 A:ASP92 2.3 20.8 1.0 CE1 A:HIS248 3.0 31.1 1.0 CE1 A:HIS173 3.1 26.7 1.0 MN A:MN401 3.1 38.1 0.8 CG A:ASP92 3.2 23.5 1.0 CG A:ASN124 3.2 32.7 1.0 CD2 A:HIS173 3.2 24.7 1.0 P A:PO4404 3.3 44.3 1.0 CG A:HIS248 3.4 26.1 1.0 OD1 A:ASP92 3.4 24.1 1.0 ND2 A:ASN124 3.6 31.9 1.0 O3 A:PO4404 3.6 55.9 0.7 CA A:HIS248 3.8 22.8 1.0 CB A:HIS248 3.9 26.3 1.0 OD2 A:ASP64 4.0 24.3 1.0 O1 A:PO4404 4.0 46.4 0.9 CD2 A:HIS125 4.2 26.3 1.0 O A:HIS248 4.2 33.0 1.0 NE2 A:HIS248 4.2 30.1 1.0 ND1 A:HIS173 4.2 18.6 1.0 CG A:HIS173 4.3 23.5 1.0 CD2 A:HIS248 4.4 28.8 1.0 CB A:ASP92 4.5 18.3 1.0 C A:HIS248 4.5 31.3 1.0 N A:ASN124 4.5 31.4 1.0 CB A:ASN124 4.5 31.6 1.0 O2 A:PO4404 4.5 51.6 0.8 O A:LEU205 4.7 35.5 1.0 NE2 A:HIS125 4.8 31.2 1.0 N A:HIS248 4.9 26.0 1.0 CG A:ASP64 5.0 26.0 1.0 O A:HOH633 5.0 41.2 1.0

M.S.Choy, M.Hieke, G.S.Kumar, G.R.Lewis, K.R.Gonzalez-Dewhitt, R.P.Kessler, B.J.Stein, M.Hessenberger, A.C.Nairn, W.Peti, R.Page. Understanding the Antagonism of Retinoblastoma Protein Dephosphorylation By Pnuts Provides Insights Into the PP1 Regulatory Code. Proc.Natl.Acad.Sci.Usa V. 111 4097 2014.
ISSN: ISSN 0027-8424
PubMed: 24591642
DOI: 10.1073/PNAS.1317395111