Manganese in PDB 4xpn: Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34

All present enzymatic activity of Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34:
3.1.3.16;

The structure of Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34, PDB code: 4xpn was solved by M.S.Choy, W.Peti, R.Page, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.43 / 2.29
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.311, 112.853, 125.013, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 20.5

The binding sites of Manganese atom in the Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34 (pdb code 4xpn). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34, PDB code: 4xpn:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34


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 Phosphate 1 Complexed with PP1 Binding Domain of GADD34 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:41.8 occ:0.84 O2 A:PO4403 2.1 44.1 0.9 NE2 A:HIS66 2.1 43.1 1.0 OD2 A:ASP64 2.1 42.8 1.0 OD2 A:ASP92 2.2 43.0 1.0 O A:HOH624 2.2 59.2 1.0 CD2 A:HIS66 3.0 42.9 1.0 CG A:ASP92 3.0 45.6 1.0 CG A:ASP64 3.1 48.3 1.0 CE1 A:HIS66 3.1 44.3 1.0 CB A:ASP92 3.3 42.1 1.0 MN A:MN402 3.4 39.3 0.9 P A:PO4403 3.5 56.9 0.9 CB A:ASP64 3.6 44.5 1.0 O4 A:PO4403 3.8 48.2 0.9 OD1 A:ASP64 4.1 53.4 1.0 CG A:HIS66 4.1 45.1 1.0 CD2 A:HIS125 4.2 46.6 1.0 NE2 A:HIS173 4.2 34.2 1.0 ND1 A:HIS66 4.2 46.9 1.0 CE1 A:HIS173 4.2 39.5 1.0 OD1 A:ASP92 4.2 47.5 1.0 CE1 A:PHE267 4.2 47.3 1.0 O3 A:PO4403 4.3 66.8 0.9 OH A:TYR272 4.4 69.8 1.0 O1 A:PO4403 4.4 54.4 0.9 NE2 A:HIS125 4.4 51.9 1.0 CA A:HIS248 4.6 36.6 1.0 O A:HIS248 4.8 55.1 1.0 CA A:ASP92 4.8 44.2 1.0 CZ A:PHE267 4.9 49.9 1.0 C A:HIS248 4.9 45.2 1.0 CA A:ASP64 4.9 41.4 1.0 CZ A:TYR272 4.9 60.0 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34


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 Phosphate 1 Complexed with PP1 Binding Domain of GADD34 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:39.3 occ:0.94 NE2 A:HIS173 2.0 34.2 1.0 O4 A:PO4403 2.1 48.2 0.9 OD1 A:ASN124 2.1 43.2 1.0 O A:HOH624 2.2 59.2 1.0 ND1 A:HIS248 2.2 41.7 1.0 OD2 A:ASP92 2.2 43.0 1.0 CD2 A:HIS173 2.8 39.3 1.0 CE1 A:HIS248 3.0 48.4 1.0 CE1 A:HIS173 3.1 39.5 1.0 CG A:ASN124 3.1 42.7 1.0 CG A:ASP92 3.2 45.6 1.0 P A:PO4403 3.3 56.9 0.9 CG A:HIS248 3.3 37.1 1.0 O2 A:PO4403 3.3 44.1 0.9 MN A:MN401 3.4 41.8 0.8 OD1 A:ASP92 3.5 47.5 1.0 ND2 A:ASN124 3.5 35.6 1.0 CA A:HIS248 3.6 36.6 1.0 CB A:HIS248 3.7 32.6 1.0 O3 A:PO4403 4.0 66.8 0.9 CG A:HIS173 4.0 35.2 1.0 O A:HIS248 4.1 55.1 1.0 ND1 A:HIS173 4.1 34.9 1.0 OD2 A:ASP64 4.1 42.8 1.0 CD2 A:HIS125 4.1 46.6 1.0 NE2 A:HIS248 4.2 51.1 1.0 C A:HIS248 4.3 45.2 1.0 CD2 A:HIS248 4.4 40.8 1.0 N A:ASN124 4.4 40.5 1.0 CB A:ASN124 4.4 34.0 1.0 O1 A:PO4403 4.4 54.4 0.9 CB A:ASP92 4.5 42.1 1.0 O A:LEU205 4.5 46.7 1.0 N A:HIS248 4.6 39.5 1.0 NE2 A:HIS125 4.7 51.9 1.0 CA A:ASN124 4.9 39.4 1.0 CG A:ASP64 5.0 48.3 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn401 b:33.4 occ:0.89 NE2 C:HIS173 2.0 47.0 1.0 OD1 C:ASN124 2.1 49.0 1.0 O C:HOH588 2.1 34.5 1.0 ND1 C:HIS248 2.2 44.2 1.0 OD2 C:ASP92 2.3 38.5 1.0 O1 C:PO4403 2.6 50.2 0.7 CD2 C:HIS173 3.0 51.8 1.0 CE1 C:HIS173 3.0 45.9 1.0 CE1 C:HIS248 3.0 51.5 1.0 CG C:ASP92 3.1 46.4 1.0 CG C:ASN124 3.1 52.6 1.0 MN C:MN402 3.3 37.8 0.8 CG C:HIS248 3.3 49.1 1.0 OD1 C:ASP92 3.4 40.5 1.0 CA C:HIS248 3.5 49.9 1.0 ND2 C:ASN124 3.6 44.2 1.0 CB C:HIS248 3.7 44.8 1.0 P C:PO4403 3.8 67.4 0.7 O C:HIS248 3.9 63.0 1.0 OD2 C:ASP64 4.0 45.7 1.0 ND1 C:HIS173 4.1 45.8 1.0 CG C:HIS173 4.1 45.6 1.0 O3 C:PO4403 4.1 60.9 0.7 CD2 C:HIS125 4.1 47.0 1.0 NE2 C:HIS248 4.2 56.6 1.0 C C:HIS248 4.2 52.7 1.0 CD2 C:HIS248 4.4 49.6 1.0 N C:ASN124 4.4 43.9 1.0 O4 C:PO4403 4.4 81.9 0.7 CB C:ASP92 4.4 43.2 1.0 CB C:ASN124 4.4 43.1 1.0 O C:HOH589 4.4 38.5 1.0 O C:LEU205 4.6 50.2 1.0 N C:HIS248 4.6 42.9 1.0 NE2 C:HIS125 4.8 44.3 1.0 CG C:ASP64 4.9 50.2 1.0 CA C:ASN124 4.9 41.8 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Protein Phosphate 1 Complexed with PP1 Binding Domain of GADD34 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn402 b:37.8 occ:0.79 O C:HOH589 2.0 38.5 1.0 OD2 C:ASP92 2.0 38.5 1.0 OD2 C:ASP64 2.0 45.7 1.0 NE2 C:HIS66 2.1 45.9 1.0 O C:HOH588 2.3 34.5 1.0 CG C:ASP92 3.1 46.4 1.0 CD2 C:HIS66 3.1 42.7 1.0 O4 C:PO4403 3.1 81.9 0.7 CE1 C:HIS66 3.1 45.6 1.0 CG C:ASP64 3.2 50.2 1.0 MN C:MN401 3.3 33.4 0.9 CB C:ASP92 3.5 43.2 1.0 O1 C:PO4403 3.5 50.2 0.7 P C:PO4403 3.7 67.4 0.7 CB C:ASP64 3.8 44.9 1.0 O3 C:PO4403 4.0 60.9 0.7 OD1 C:ASP64 4.1 48.2 1.0 OD1 C:ASP92 4.1 40.5 1.0 CD2 C:HIS125 4.2 47.0 1.0 ND1 C:HIS66 4.2 43.4 1.0 CG C:HIS66 4.2 49.5 1.0 CE1 C:HIS173 4.3 45.9 1.0 NE2 C:HIS173 4.3 47.0 1.0 CE1 C:PHE267 4.3 44.0 1.0 O C:HIS248 4.3 63.0 1.0 OH C:TYR272 4.4 70.7 1.0 CA C:HIS248 4.5 49.9 1.0 NE2 C:HIS125 4.5 44.3 1.0 C C:HIS248 4.6 52.7 1.0 OD1 C:ASN124 4.9 49.0 1.0 ND1 C:HIS248 4.9 44.2 1.0 CZ C:PHE267 4.9 50.9 1.0 CA C:ASP92 5.0 41.6 1.0

M.S.Choy, P.Yusoff, I.C.Lee, J.C.Newton, C.W.Goh, R.Page, S.Shenolikar, W.Peti. Structural and Functional Analysis of the GADD34:PP1 EIF2 Alpha Phosphatase. Cell Rep V. 11 1885 2015.
ISSN: ESSN 2211-1247
PubMed: 26095357
DOI: 10.1016/J.CELREP.2015.05.043