Manganese in PDB 6obs: PP1 Y134K

All present enzymatic activity of PP1 Y134K:
3.1.3.16;

The structure of PP1 Y134K, PDB code: 6obs 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)	17.73 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.094, 76.794, 131.567, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 24.6

The binding sites of Manganese atom in the PP1 Y134K (pdb code 6obs). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the PP1 Y134K, PDB code: 6obs:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the PP1 Y134K


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of PP1 Y134K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:16.1 occ:1.00 OD1 A:ASN124 2.1 16.7 1.0 O A:HOH505 2.2 18.4 1.0 NE2 A:HIS173 2.2 10.9 1.0 ND1 A:HIS248 2.2 20.8 1.0 OD2 A:ASP92 2.2 15.2 1.0 O2 A:PO4403 2.2 18.1 0.7 CE1 A:HIS248 2.9 21.2 1.0 CG A:ASP92 3.1 13.7 1.0 CE1 A:HIS173 3.1 12.2 1.0 CD2 A:HIS173 3.2 17.3 1.0 CG A:ASN124 3.2 16.8 1.0 MN A:MN402 3.3 20.1 0.6 CG A:HIS248 3.3 19.7 1.0 OD1 A:ASP92 3.4 11.7 1.0 P A:PO4403 3.5 27.0 0.7 ND2 A:ASN124 3.7 16.3 1.0 CA A:HIS248 3.7 16.4 1.0 O1 A:PO4403 3.8 28.9 0.7 CB A:HIS248 3.8 16.2 1.0 O4 A:PO4403 4.0 34.0 0.7 OD2 A:ASP64 4.0 15.0 1.0 O A:HIS248 4.0 24.9 1.0 NE2 A:HIS248 4.1 22.7 1.0 CD2 A:HIS125 4.2 14.0 1.0 ND1 A:HIS173 4.2 11.8 1.0 CG A:HIS173 4.3 13.0 1.0 CD2 A:HIS248 4.3 24.2 1.0 C A:HIS248 4.4 24.6 1.0 CB A:ASP92 4.4 12.7 1.0 CB A:ASN124 4.5 14.5 1.0 N A:ASN124 4.5 13.3 1.0 O3 A:PO4403 4.7 27.4 0.7 O A:LEU205 4.7 14.9 1.0 O A:HOH509 4.8 32.4 1.0 N A:HIS248 4.8 13.7 1.0 NE2 A:HIS125 4.9 16.2 1.0 CG A:ASP64 4.9 16.4 1.0 NE2 A:HIS66 5.0 15.5 1.0

Manganese binding site 2 out of 4 in the PP1 Y134K


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of PP1 Y134K within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:20.1 occ:0.63 O A:HOH505 2.0 18.4 1.0 NE2 A:HIS66 2.1 15.5 1.0 OD2 A:ASP64 2.1 15.0 1.0 OD2 A:ASP92 2.2 15.2 1.0 O A:HOH509 2.2 32.4 1.0 O1 A:PO4403 2.4 28.9 0.7 CD2 A:HIS66 3.1 12.3 1.0 CE1 A:HIS66 3.1 12.3 1.0 CG A:ASP92 3.2 13.7 1.0 MN A:MN401 3.3 16.1 1.0 CG A:ASP64 3.3 16.4 1.0 P A:PO4403 3.3 27.0 0.7 O2 A:PO4403 3.4 18.1 0.7 CB A:ASP92 3.7 12.7 1.0 O4 A:PO4403 3.8 34.0 0.7 CB A:ASP64 4.0 10.9 1.0 O A:HIS248 4.1 24.9 1.0 ND1 A:HIS66 4.2 14.2 1.0 CG A:HIS66 4.2 14.7 1.0 CE1 A:PHE267 4.3 21.1 1.0 OD1 A:ASP64 4.3 18.0 1.0 CD2 A:HIS125 4.3 14.0 1.0 OD1 A:ASP92 4.3 11.7 1.0 NE2 A:HIS125 4.5 16.2 1.0 NE2 A:HIS173 4.5 10.9 1.0 CE1 A:HIS173 4.5 12.2 1.0 OH A:TYR272 4.5 32.2 1.0 CA A:HIS248 4.6 16.4 1.0 O3 A:PO4403 4.7 27.4 0.7 C A:HIS248 4.7 24.6 1.0 ND1 A:HIS248 4.8 20.8 1.0 CZ A:PHE267 4.9 20.7 1.0 OD1 A:ASN124 5.0 16.7 1.0

Manganese binding site 3 out of 4 in the PP1 Y134K


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of PP1 Y134K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:17.5 occ:0.66 O B:HOH522 1.9 17.1 1.0 OD2 B:ASP64 2.1 14.5 1.0 NE2 B:HIS66 2.2 13.9 1.0 O B:HOH538 2.2 29.5 1.0 OD2 B:ASP92 2.2 11.6 1.0 O3 B:PO4403 2.3 22.2 0.6 CE1 B:HIS66 3.0 13.2 1.0 MN B:MN402 3.2 16.8 1.0 CD2 B:HIS66 3.2 9.2 1.0 CG B:ASP92 3.2 14.2 1.0 CG B:ASP64 3.3 15.7 1.0 P B:PO4403 3.4 25.5 0.6 CB B:ASP92 3.7 9.6 1.0 O2 B:PO4403 3.7 12.5 0.6 O1 B:PO4403 3.7 35.9 0.6 CB B:ASP64 4.0 12.1 1.0 O B:HIS248 4.2 22.2 1.0 ND1 B:HIS66 4.2 14.3 1.0 OD1 B:ASP64 4.2 15.4 1.0 CD2 B:HIS125 4.3 12.9 1.0 OD1 B:ASP92 4.3 11.2 1.0 CG B:HIS66 4.3 13.5 1.0 CE1 B:PHE267 4.3 19.2 1.0 OH B:TYR272 4.4 29.5 1.0 NE2 B:HIS125 4.4 12.6 1.0 CE1 B:HIS173 4.5 15.5 1.0 NE2 B:HIS173 4.5 13.5 1.0 O B:HOH502 4.5 45.4 1.0 CA B:HIS248 4.6 16.6 1.0 C B:HIS248 4.7 19.8 1.0 O4 B:PO4403 4.7 29.5 0.6 ND1 B:HIS248 4.8 15.7 1.0 OD1 B:ASN124 4.9 14.4 1.0 CZ B:PHE267 5.0 19.8 1.0

Manganese binding site 4 out of 4 in the PP1 Y134K


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of PP1 Y134K within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn402 b:16.8 occ:1.00 O B:HOH522 2.0 17.1 1.0 OD1 B:ASN124 2.1 14.4 1.0 NE2 B:HIS173 2.2 13.5 1.0 ND1 B:HIS248 2.2 15.7 1.0 OD2 B:ASP92 2.2 11.6 1.0 O2 B:PO4403 2.4 12.5 0.6 CE1 B:HIS248 3.0 19.7 1.0 CE1 B:HIS173 3.1 15.5 1.0 CG B:ASP92 3.1 14.2 1.0 CG B:ASN124 3.2 17.0 1.0 MN B:MN401 3.2 17.5 0.7 CD2 B:HIS173 3.2 10.6 1.0 CG B:HIS248 3.4 16.6 1.0 OD1 B:ASP92 3.4 11.2 1.0 P B:PO4403 3.5 25.5 0.6 ND2 B:ASN124 3.6 18.7 1.0 O3 B:PO4403 3.6 22.2 0.6 CA B:HIS248 3.7 16.6 1.0 CB B:HIS248 3.9 16.4 1.0 O1 B:PO4403 3.9 35.9 0.6 OD2 B:ASP64 4.0 14.5 1.0 O B:HIS248 4.0 22.2 1.0 NE2 B:HIS248 4.2 17.3 1.0 ND1 B:HIS173 4.2 14.1 1.0 CD2 B:HIS125 4.2 12.9 1.0 CG B:HIS173 4.3 10.9 1.0 C B:HIS248 4.3 19.8 1.0 CD2 B:HIS248 4.4 25.3 1.0 CB B:ASP92 4.4 9.6 1.0 CB B:ASN124 4.5 13.2 1.0 N B:ASN124 4.6 13.6 1.0 N B:HIS248 4.7 13.4 1.0 O B:LEU205 4.7 15.3 1.0 O B:HOH538 4.7 29.5 1.0 O4 B:PO4403 4.8 29.5 0.6 NE2 B:HIS125 4.8 12.6 1.0 CG B:ASP64 4.9 15.7 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