Manganese in PDB 6obp: Reconstituted PP1 Holoenzyme

All present enzymatic activity of Reconstituted PP1 Holoenzyme:
3.1.3.16;

The structure of Reconstituted PP1 Holoenzyme, PDB code: 6obp was solved by M.S.Choy, T.M.Moon, J.A.Bray, T.L.Archuleta, W.Shi, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.73 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	132.309, 69.703, 81.000, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 25.8

The structure of Reconstituted PP1 Holoenzyme also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Manganese atom in the Reconstituted PP1 Holoenzyme (pdb code 6obp). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Reconstituted PP1 Holoenzyme, PDB code: 6obp:

Manganese binding site 1 out of 1 in the Reconstituted PP1 Holoenzyme


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Reconstituted PP1 Holoenzyme within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:66.9 occ:1.00 OD2 A:ASP92 2.1 84.0 1.0 OD1 A:ASN124 2.2 60.7 1.0 ND1 A:HIS248 2.2 73.1 1.0 NE2 A:HIS173 2.2 59.5 1.0 O1 A:PO4401 2.2 93.0 1.0 CE1 A:HIS248 2.7 72.2 1.0 CE1 A:HIS173 2.9 55.1 1.0 CG A:ASP92 3.0 71.2 1.0 O3 A:PO4401 3.1 70.4 1.0 P A:PO4401 3.2 0.4 1.0 CG A:ASN124 3.3 65.3 1.0 OD1 A:ASP92 3.3 65.6 1.0 CG A:HIS248 3.4 66.9 1.0 CD2 A:HIS173 3.4 63.1 1.0 CA A:HIS248 3.7 71.5 1.0 O A:HIS248 3.8 78.8 1.0 ND2 A:ASN124 3.9 70.1 1.0 NE2 A:HIS248 4.0 73.9 1.0 CB A:HIS248 4.0 69.4 1.0 OD2 A:ASP64 4.0 78.4 1.0 O2 A:PO4401 4.1 93.8 1.0 ND1 A:HIS173 4.2 49.1 1.0 C A:HIS248 4.2 68.3 1.0 CB A:ASP92 4.3 67.2 1.0 CD2 A:HIS248 4.3 70.4 1.0 O4 A:PO4401 4.4 96.9 1.0 CG A:HIS173 4.4 49.8 1.0 CB A:ASN124 4.5 59.5 1.0 N A:ASN124 4.6 61.8 1.0 CD2 A:HIS125 4.7 83.8 1.0 N A:HIS248 4.7 58.8 1.0 NE2 A:HIS125 4.8 86.6 1.0 CG A:ASP64 4.9 78.7 1.0 O A:LEU205 4.9 55.0 1.0

M.S.Choy, T.M.Moon, R.Ravindran, J.A.Bray, L.C.Robinson, T.L.Archuleta, W.Shi, W.Peti, K.Tatchell, R.Page. SDS22 Selectively Recognizes and Traps Metal-Deficient Inactive PP1. Proc.Natl.Acad.Sci.Usa V. 116 20472 2019.
ISSN: ESSN 1091-6490
PubMed: 31548429
DOI: 10.1073/PNAS.1908718116