Manganese in PDB 7qfb: Crystal Structure of Protein Phosphatase 1 in Complex with PP1-Binding Peptide From Ptg

All present enzymatic activity of Crystal Structure of Protein Phosphatase 1 in Complex with PP1-Binding Peptide From Ptg:
3.1.3.16;

The structure of Crystal Structure of Protein Phosphatase 1 in Complex with PP1-Binding Peptide From Ptg, PDB code: 7qfb was solved by M.S.Semrau, P.Storici, G.Lolli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.89 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.382, 68.338, 119.78, 90, 90, 90
R / Rfree (%)	15.9 / 19.1

The binding sites of Manganese atom in the Crystal Structure of Protein Phosphatase 1 in Complex with PP1-Binding Peptide From Ptg (pdb code 7qfb). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Protein Phosphatase 1 in Complex with PP1-Binding Peptide From Ptg, PDB code: 7qfb:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Protein Phosphatase 1 in Complex with PP1-Binding Peptide From Ptg


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 Protein Phosphatase 1 in Complex with PP1-Binding Peptide From Ptg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn409 b:22.8 occ:1.00 OD1 A:ASN124 2.2 25.8 1.0 OD2 A:ASP92 2.2 21.8 1.0 ND1 A:HIS248 2.2 21.3 1.0 NE2 A:HIS173 2.2 19.7 1.0 MN A:MN410 2.3 76.0 1.0 O4 A:SO4411 2.4 26.8 1.0 CE1 A:HIS248 2.9 24.4 1.0 CG A:ASP92 3.2 24.1 1.0 CE1 A:HIS173 3.2 21.5 1.0 CD2 A:HIS173 3.2 20.6 1.0 CG A:ASN124 3.2 25.8 1.0 CG A:HIS248 3.4 23.8 1.0 OD1 A:ASP92 3.5 22.7 1.0 S A:SO4411 3.6 27.8 1.0 ND2 A:ASN124 3.7 23.9 1.0 CA A:HIS248 3.8 18.5 1.0 O1 A:SO4411 3.9 24.8 1.0 CB A:HIS248 3.9 19.1 1.0 OD2 A:ASP64 4.0 23.1 1.0 NE2 A:HIS248 4.2 24.3 1.0 CD2 A:HIS125 4.2 22.1 1.0 O A:HIS248 4.2 25.2 1.0 ND1 A:HIS173 4.3 19.5 1.0 CG A:HIS173 4.4 22.8 1.0 CD2 A:HIS248 4.4 19.9 1.0 CB A:ASP92 4.4 19.9 1.0 O2 A:SO4411 4.4 35.4 1.0 N A:ASN124 4.5 20.2 1.0 CB A:ASN124 4.5 23.5 1.0 C A:HIS248 4.5 23.3 1.0 O3 A:SO4411 4.6 33.7 1.0 NE2 A:HIS125 4.8 26.2 1.0 O A:LEU205 4.8 23.5 1.0 NE2 A:HIS66 4.9 28.8 1.0 N A:HIS248 4.9 17.9 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Protein Phosphatase 1 in Complex with PP1-Binding Peptide From Ptg


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 Protein Phosphatase 1 in Complex with PP1-Binding Peptide From Ptg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn410 b:76.0 occ:1.00 MN A:MN409 2.3 22.8 1.0 OD2 A:ASP92 2.7 21.8 1.0 O1 A:SO4411 2.8 24.8 1.0 O A:HIS248 2.8 25.2 1.0 OD2 A:ASP64 2.8 23.1 1.0 O4 A:SO4411 2.8 26.8 1.0 ND1 A:HIS248 3.3 21.3 1.0 S A:SO4411 3.3 27.8 1.0 CA A:HIS248 3.5 18.5 1.0 C A:HIS248 3.5 23.3 1.0 NE2 A:HIS66 3.5 28.8 1.0 NE2 A:HIS173 3.8 19.7 1.0 CG A:ASP92 3.9 24.1 1.0 O3 A:SO4411 4.0 33.7 1.0 CG A:ASP64 4.0 26.7 1.0 CE1 A:HIS248 4.1 24.4 1.0 CG A:HIS248 4.1 23.8 1.0 O A:HOH517 4.1 38.9 1.0 CE1 A:HIS173 4.1 21.5 1.0 OD1 A:ASN124 4.3 25.8 1.0 CE1 A:HIS66 4.3 30.9 1.0 CB A:HIS248 4.3 19.1 1.0 O A:HOH554 4.5 42.3 1.0 O2 A:SO4411 4.5 35.4 1.0 N A:HIS248 4.6 17.9 1.0 CD2 A:HIS66 4.6 25.4 1.0 CB A:ASP92 4.6 19.9 1.0 CE1 A:PHE267 4.7 23.2 1.0 OD1 A:ASP64 4.7 26.3 1.0 CD2 A:HIS125 4.8 22.1 1.0 OD1 A:ASP92 4.8 22.7 1.0 N A:GLN249 4.8 22.5 1.0 O A:HOH616 4.9 53.6 1.0 NE2 A:HIS125 4.9 26.2 1.0

M.S.Semrau, G.Giachin, S.Covaceuszach, A.Cassetta, N.Demitri, P.Storici, G.Lolli. Molecular Architecture of the Glycogen- Committed PP1/Ptg Holoenzyme. Nat Commun V. 13 6199 2022.
ISSN: ESSN 2041-1723
PubMed: 36261419
DOI: 10.1038/S41467-022-33693-Z