Manganese in PDB 1s70: Complex Between Protein Ser/Thr Phosphatase-1 (Delta) and the Myosin Phosphatase Targeting Subunit 1 (MYPT1)

All present enzymatic activity of Complex Between Protein Ser/Thr Phosphatase-1 (Delta) and the Myosin Phosphatase Targeting Subunit 1 (MYPT1):
3.1.3.16; 3.1.3.53;

The structure of Complex Between Protein Ser/Thr Phosphatase-1 (Delta) and the Myosin Phosphatase Targeting Subunit 1 (MYPT1), PDB code: 1s70 was solved by F.Kerff, M.Terrak, R.Dominguez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.67 / 2.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.188, 75.188, 241.753, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 29.3

The binding sites of Manganese atom in the Complex Between Protein Ser/Thr Phosphatase-1 (Delta) and the Myosin Phosphatase Targeting Subunit 1 (MYPT1) (pdb code 1s70). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Complex Between Protein Ser/Thr Phosphatase-1 (Delta) and the Myosin Phosphatase Targeting Subunit 1 (MYPT1), PDB code: 1s70:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Complex Between Protein Ser/Thr Phosphatase-1 (Delta) and the Myosin Phosphatase Targeting Subunit 1 (MYPT1)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Complex Between Protein Ser/Thr Phosphatase-1 (Delta) and the Myosin Phosphatase Targeting Subunit 1 (MYPT1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn400 b:56.4 occ:1.00 OD1 A:ASN124 2.1 58.2 1.0 ND1 A:HIS248 2.2 58.2 1.0 NE2 A:HIS173 2.3 41.2 1.0 OD2 A:ASP92 2.4 60.7 1.0 MN A:MN401 2.8 79.9 1.0 CE1 A:HIS248 2.9 61.6 1.0 O A:HOH415 3.0 30.2 1.0 CE1 A:HIS173 3.0 46.7 1.0 CG A:ASN124 3.2 58.7 1.0 CG A:HIS248 3.3 55.9 1.0 CG A:ASP92 3.3 60.1 1.0 CD2 A:HIS173 3.4 55.7 1.0 CA A:HIS248 3.5 52.9 1.0 ND2 A:ASN124 3.6 62.6 1.0 OD1 A:ASP92 3.6 57.4 1.0 O A:HIS248 3.7 55.4 1.0 OD1 A:ASP64 3.7 45.9 1.0 CB A:HIS248 3.9 53.2 1.0 NE2 A:HIS248 4.0 56.8 1.0 CD2 A:HIS125 4.1 53.3 1.0 C A:HIS248 4.1 53.0 1.0 ND1 A:HIS173 4.2 55.4 1.0 CD2 A:HIS248 4.2 53.5 1.0 NE2 A:HIS125 4.4 65.0 1.0 CG A:HIS173 4.5 42.8 1.0 CB A:ASN124 4.5 54.8 1.0 N A:HIS248 4.6 42.1 1.0 CB A:ASP92 4.6 60.6 1.0 CG A:ASP64 4.6 50.2 1.0 N A:ASN124 4.7 49.0 1.0 OD2 A:ASP64 4.8 68.9 1.0 NE2 A:HIS66 4.9 50.8 1.0

Manganese binding site 2 out of 2 in the Complex Between Protein Ser/Thr Phosphatase-1 (Delta) and the Myosin Phosphatase Targeting Subunit 1 (MYPT1)


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Complex Between Protein Ser/Thr Phosphatase-1 (Delta) and the Myosin Phosphatase Targeting Subunit 1 (MYPT1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:79.9 occ:1.00 OD2 A:ASP92 2.3 60.7 1.0 OD1 A:ASP64 2.5 45.9 1.0 NE2 A:HIS66 2.5 50.8 1.0 MN A:MN400 2.8 56.4 1.0 O A:HOH415 2.9 30.2 1.0 CE1 A:HIS66 3.2 55.2 1.0 CG A:ASP92 3.5 60.1 1.0 CG A:ASP64 3.7 50.2 1.0 CD2 A:HIS66 3.7 50.8 1.0 O A:HIS248 3.7 55.4 1.0 NE2 A:HIS125 3.9 65.0 1.0 O A:HOH517 4.1 57.9 1.0 CD2 A:HIS125 4.1 53.3 1.0 CB A:ASP92 4.2 60.6 1.0 C A:HIS248 4.4 53.0 1.0 OD1 A:ASN124 4.4 58.2 1.0 ND1 A:HIS66 4.4 60.8 1.0 CE1 A:PHE267 4.5 41.1 1.0 CB A:ASP64 4.5 41.2 1.0 OD1 A:ASP92 4.5 57.4 1.0 OH A:TYR272 4.5 0.1 1.0 NE2 A:HIS173 4.5 41.2 1.0 CA A:HIS248 4.5 52.9 1.0 OD2 A:ASP64 4.5 68.9 1.0 CE1 A:HIS173 4.6 46.7 1.0 CG A:HIS66 4.7 62.2 1.0 ND1 A:HIS248 4.7 58.2 1.0 CE1 A:HIS125 4.9 63.6 1.0 O A:HOH490 5.0 78.8 1.0

M.Terrak, F.Kerff, K.Langsetmo, T.Tao, R.Dominguez. Structural Basis of Protein Phosphatase 1 Regulation Nature V. 429 780 2004.
ISSN: ISSN 0028-0836
PubMed: 15164081
DOI: 10.1038/NATURE02582