Manganese in PDB 4g9j: Protein Ser/Thr Phosphatase-1 in Complex with Cell-Permeable Peptide

All present enzymatic activity of Protein Ser/Thr Phosphatase-1 in Complex with Cell-Permeable Peptide:
3.1.3.16;

The structure of Protein Ser/Thr Phosphatase-1 in Complex with Cell-Permeable Peptide, PDB code: 4g9j was solved by R.Sukackaite, J.Chatterjee, M.Beullens, M.Bollen, M.Koehn, D.J.Hart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	97.59 / 3.10
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	138.007, 138.007, 113.675, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 27.6

The binding sites of Manganese atom in the Protein Ser/Thr Phosphatase-1 in Complex with Cell-Permeable Peptide (pdb code 4g9j). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Protein Ser/Thr Phosphatase-1 in Complex with Cell-Permeable Peptide, PDB code: 4g9j:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Protein Ser/Thr Phosphatase-1 in Complex with Cell-Permeable Peptide


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Protein Ser/Thr Phosphatase-1 in Complex with Cell-Permeable Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:38.2 occ:1.00 OD1 A:ASN124 2.1 37.8 1.0 OD2 A:ASP92 2.2 43.5 1.0 ND1 A:HIS248 2.3 56.2 1.0 NE2 A:HIS173 2.4 44.6 1.0 O A:HOH505 2.6 16.5 1.0 O A:HOH504 2.7 2.9 1.0 CE1 A:HIS248 3.0 55.4 1.0 CG A:ASN124 3.1 40.9 1.0 CG A:ASP92 3.1 43.5 1.0 CE1 A:HIS173 3.2 45.9 1.0 OD1 A:ASP92 3.4 40.7 1.0 CG A:HIS248 3.5 54.5 1.0 ND2 A:ASN124 3.5 38.7 1.0 OD2 A:ASP64 3.6 52.4 1.0 O A:HIS248 3.6 57.3 1.0 CD2 A:HIS173 3.6 47.3 1.0 CA A:HIS248 3.6 55.6 1.0 CD2 A:HIS125 3.9 52.2 1.0 CB A:HIS248 4.0 55.2 1.0 C A:HIS248 4.1 56.5 1.0 NE2 A:HIS248 4.2 54.1 1.0 CB A:ASP92 4.4 43.9 1.0 ND1 A:HIS173 4.4 46.8 1.0 NE2 A:HIS125 4.4 53.2 1.0 CB A:ASN124 4.5 43.2 1.0 CD2 A:HIS248 4.5 52.9 1.0 NE2 A:HIS66 4.5 54.8 1.0 CG A:ASP64 4.6 53.9 1.0 CG A:HIS173 4.6 48.5 1.0 N A:HIS248 4.7 54.8 1.0 N A:ASN124 4.8 43.8 1.0 OD1 A:ASP64 4.8 54.5 1.0 CE1 A:HIS66 4.8 55.3 1.0

Manganese binding site 2 out of 2 in the Protein Ser/Thr Phosphatase-1 in Complex with Cell-Permeable Peptide


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Protein Ser/Thr Phosphatase-1 in Complex with Cell-Permeable Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:41.8 occ:1.00 ND2 B:ASN124 2.2 44.7 1.0 OD2 B:ASP92 2.3 38.1 1.0 ND1 B:HIS248 2.3 53.3 1.0 NE2 B:HIS173 2.5 44.2 1.0 O B:HOH506 2.8 3.5 1.0 CE1 B:HIS248 2.9 52.0 1.0 O B:HOH505 2.9 2.0 1.0 CG B:ASN124 3.1 44.3 1.0 CG B:ASP92 3.2 39.9 1.0 CE1 B:HIS173 3.3 46.4 1.0 OD1 B:ASN124 3.3 45.2 1.0 OD1 B:ASP92 3.5 38.3 1.0 CG B:HIS248 3.5 51.5 1.0 CD2 B:HIS173 3.6 47.6 1.0 OD2 B:ASP64 3.8 44.8 1.0 O B:HIS248 3.8 51.3 1.0 CA B:HIS248 3.8 51.1 1.0 CD2 B:HIS125 4.1 47.7 1.0 NE2 B:HIS248 4.1 50.8 1.0 CB B:HIS248 4.1 51.0 1.0 C B:HIS248 4.3 50.9 1.0 NE2 B:HIS66 4.4 48.1 1.0 CB B:ASP92 4.4 41.3 1.0 CD2 B:HIS248 4.5 50.5 1.0 CB B:ASN124 4.5 43.2 1.0 ND1 B:HIS173 4.5 47.4 1.0 NE2 B:HIS125 4.6 49.7 1.0 CG B:HIS173 4.7 50.0 1.0 CG B:ASP64 4.7 48.3 1.0 NH1 B:ARG221 4.8 53.7 1.0 N B:HIS248 4.8 51.5 1.0 OD1 B:ASP64 4.8 50.1 1.0 CE1 B:HIS66 4.8 49.3 1.0 N B:ASN124 4.9 44.0 1.0

J.Chatterjee, M.Beullens, R.Sukackaite, J.Qian, B.Lesage, D.J.Hart, M.Bollen, M.Kohn. Development of A Peptide That Selectively Activates Protein Phosphatase-1 in Living Cells. Angew.Chem.Int.Ed.Engl. V. 51 10054 2012.
ISSN: ISSN 1433-7851
PubMed: 22962028
DOI: 10.1002/ANIE.201204308