Manganese in PDB 9gsu: Structure of PP1-Neurabin Bound to 4E-BP1.

All present enzymatic activity of Structure of PP1-Neurabin Bound to 4E-BP1.:
3.1.3.16;

The structure of Structure of PP1-Neurabin Bound to 4E-BP1., PDB code: 9gsu was solved by S.Mouilleron, R.Treisman, R.Fedoryshchak, K.Elbouri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.48 / 2.36
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	104.955, 130.647, 156.132, 90, 90, 90
R / Rfree (%)	24.2 / 28.1

The binding sites of Manganese atom in the Structure of PP1-Neurabin Bound to 4E-BP1. (pdb code 9gsu). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Structure of PP1-Neurabin Bound to 4E-BP1., PDB code: 9gsu:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Structure of PP1-Neurabin Bound to 4E-BP1.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Structure of PP1-Neurabin Bound to 4E-BP1. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1201 b:51.9 occ:1.00 ND1 A:HIS248 2.0 66.5 1.0 OD1 A:ASN124 2.1 39.1 1.0 NE2 A:HIS173 2.2 41.4 1.0 OD2 A:ASP92 2.2 53.1 1.0 CE1 A:HIS248 2.8 55.2 1.0 MN A:MN1202 2.9 91.0 1.0 HE1 A:HIS248 2.9 66.2 1.0 HA A:HIS248 2.9 63.5 1.0 HD21 A:ASN124 3.0 51.2 1.0 CE1 A:HIS173 3.0 38.1 1.0 CG A:ASN124 3.0 45.6 1.0 CG A:HIS248 3.1 45.6 1.0 HE1 A:HIS173 3.1 45.8 1.0 CG A:ASP92 3.1 53.2 1.0 CD2 A:HIS173 3.3 42.7 1.0 HD2 A:HIS125 3.3 51.2 1.0 ND2 A:ASN124 3.4 42.7 1.0 OD1 A:ASP92 3.5 43.7 1.0 HB2 A:HIS248 3.5 61.9 1.0 HD2 A:HIS173 3.5 51.2 1.0 CB A:HIS248 3.6 51.6 1.0 CA A:HIS248 3.7 52.9 1.0 H A:ASN124 3.7 46.2 1.0 NE2 A:HIS248 3.9 51.8 1.0 OD2 A:ASP64 3.9 49.5 1.0 CD2 A:HIS248 4.0 48.4 1.0 CD2 A:HIS125 4.2 42.6 1.0 ND1 A:HIS173 4.2 43.9 1.0 HD22 A:ASN124 4.2 51.2 1.0 O A:HIS248 4.3 50.8 1.0 CG A:HIS173 4.3 35.0 1.0 CB A:ASP92 4.4 49.3 1.0 CB A:ASN124 4.4 36.8 1.0 HB2 A:ASP92 4.4 59.2 1.0 C A:HIS248 4.5 60.2 1.0 N A:ASN124 4.5 38.5 1.0 HB3 A:HIS248 4.5 61.9 1.0 HE2 A:HIS125 4.6 48.7 1.0 HB3 A:ASN124 4.6 44.2 1.0 H A:HIS125 4.6 50.7 1.0 HE2 A:HIS248 4.6 62.2 1.0 O A:LEU205 4.7 36.4 1.0 N A:HIS248 4.7 51.5 1.0 HB3 A:ASP92 4.7 59.2 1.0 HE1 A:HIS66 4.7 65.2 1.0 NE2 A:HIS125 4.8 40.6 1.0 H A:HIS248 4.8 61.8 1.0 NE2 A:HIS66 4.9 54.5 1.0 CG A:ASP64 4.9 58.3 1.0 HD2 A:HIS248 4.9 58.1 1.0 HD1 A:HIS173 4.9 52.7 1.0

Manganese binding site 2 out of 4 in the Structure of PP1-Neurabin Bound to 4E-BP1.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Structure of PP1-Neurabin Bound to 4E-BP1. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1202 b:91.0 occ:1.00 OD2 A:ASP92 2.2 53.1 1.0 OD2 A:ASP64 2.5 49.5 1.0 NE2 A:HIS66 2.5 54.5 1.0 MN A:MN1201 2.9 51.9 1.0 CE1 A:HIS66 3.3 54.3 1.0 HE1 A:HIS66 3.3 65.2 1.0 HA A:HIS248 3.3 63.5 1.0 CG A:ASP92 3.4 53.2 1.0 CD2 A:HIS66 3.6 52.9 1.0 CG A:ASP64 3.6 58.3 1.0 HE1 A:PHE267 3.7 55.0 1.0 HB3 A:ASP92 3.7 59.2 1.0 HD2 A:HIS125 3.8 51.2 1.0 HD2 A:HIS66 3.9 63.5 1.0 HE1 A:HIS173 3.9 45.8 1.0 ND1 A:HIS248 3.9 66.5 1.0 CB A:ASP92 4.0 49.3 1.0 HB3 A:ASP64 4.0 72.2 1.0 HB2 A:ASP92 4.1 59.2 1.0 HE2 A:HIS125 4.2 48.7 1.0 CD2 A:HIS125 4.3 42.6 1.0 CA A:HIS248 4.3 52.9 1.0 O A:HIS248 4.3 50.8 1.0 OH A:TYR272 4.4 77.5 1.0 CB A:ASP64 4.4 60.2 1.0 HH A:TYR272 4.4 93.0 1.0 OD1 A:ASP92 4.4 43.7 1.0 NE2 A:HIS173 4.4 41.4 1.0 NE2 A:HIS125 4.4 40.6 1.0 ND1 A:HIS66 4.5 48.4 1.0 CE1 A:HIS173 4.5 38.1 1.0 HD21 A:ASN124 4.5 51.2 1.0 C A:HIS248 4.5 60.2 1.0 OD1 A:ASP64 4.6 59.7 1.0 CE1 A:PHE267 4.6 45.8 1.0 HE1 A:HIS248 4.6 66.2 1.0 HB2 A:ASP64 4.6 72.2 1.0 OD1 A:ASN124 4.7 39.1 1.0 CG A:HIS66 4.7 48.0 1.0 CE1 A:HIS248 4.7 55.2 1.0 H A:HIS248 4.8 61.8 1.0 CZ A:TYR272 4.9 74.2 1.0 HZ A:PHE267 5.0 72.8 1.0 CG A:HIS248 5.0 45.6 1.0

Manganese binding site 3 out of 4 in the Structure of PP1-Neurabin Bound to 4E-BP1.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Structure of PP1-Neurabin Bound to 4E-BP1. within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn401 b:87.6 occ:1.00 O D:HOH508 2.2 36.8 1.0 MN D:MN402 2.7 43.4 1.0 HE1 D:HIS66 2.7 67.5 1.0 OD2 D:ASP92 2.8 47.7 1.0 CE1 D:HIS66 3.3 56.3 1.0 OD2 D:ASP64 3.3 41.4 1.0 HD2 D:HIS125 3.3 47.5 1.0 NE2 D:HIS66 3.5 49.9 1.0 ND1 D:HIS248 3.6 52.4 1.0 HA D:HIS248 3.6 54.3 1.0 CD2 D:HIS125 3.9 39.6 1.0 HD21 D:ASN124 3.9 40.0 1.0 NE2 D:HIS125 3.9 43.4 1.0 HE1 D:HIS248 3.9 72.6 1.0 O D:HIS248 3.9 49.5 1.0 CG D:ASP92 4.0 41.4 1.0 HH21 D:ARG96 4.0 77.0 0.8 HH12 D:ARG221 4.1 71.7 1.0 CE1 D:HIS248 4.1 60.5 1.0 HH D:TYR272 4.3 75.8 1.0 OD1 D:ASN124 4.4 34.5 1.0 HE1 D:PHE267 4.4 40.2 1.0 HE1 D:HIS173 4.5 49.3 1.0 CA D:HIS248 4.5 45.3 1.0 C D:HIS248 4.5 49.5 1.0 OH D:TYR272 4.5 63.2 1.0 CG D:ASP64 4.6 39.7 1.0 ND1 D:HIS66 4.6 52.0 1.0 HE D:ARG96 4.6 73.6 0.8 HB3 D:ASP92 4.6 46.7 1.0 ND2 D:ASN124 4.6 33.3 1.0 HH22 D:ARG221 4.7 58.4 1.0 CG D:HIS248 4.7 41.4 1.0 NE2 D:HIS173 4.7 41.9 1.0 NH1 D:ARG221 4.8 59.8 1.0 OD1 D:ASP92 4.8 35.2 1.0 CD2 D:HIS66 4.8 34.8 1.0 O D:HOH505 4.9 63.5 1.0 CB D:ASP92 4.9 38.9 1.0 NH2 D:ARG96 4.9 64.2 0.8 CE1 D:HIS173 4.9 41.1 1.0 CG D:ASN124 5.0 38.8 1.0 HD1 D:HIS66 5.0 62.4 1.0

Manganese binding site 4 out of 4 in the Structure of PP1-Neurabin Bound to 4E-BP1.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Structure of PP1-Neurabin Bound to 4E-BP1. within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn402 b:43.4 occ:1.00 ND1 D:HIS248 2.0 52.4 1.0 OD1 D:ASN124 2.1 34.5 1.0 OD2 D:ASP92 2.2 47.7 1.0 NE2 D:HIS173 2.3 41.9 1.0 MN D:MN401 2.7 87.6 1.0 CE1 D:HIS248 2.8 60.5 1.0 HE1 D:HIS248 2.8 72.6 1.0 HD21 D:ASN124 2.9 40.0 1.0 HE1 D:HIS173 3.0 49.3 1.0 CE1 D:HIS173 3.0 41.1 1.0 HA D:HIS248 3.0 54.3 1.0 CG D:ASN124 3.0 38.8 1.0 CG D:ASP92 3.2 41.4 1.0 CG D:HIS248 3.2 41.4 1.0 HD2 D:HIS125 3.3 47.5 1.0 O D:HOH508 3.3 36.8 1.0 ND2 D:ASN124 3.3 33.3 1.0 CD2 D:HIS173 3.4 51.9 1.0 OD1 D:ASP92 3.5 35.2 1.0 HB2 D:HIS248 3.7 48.2 1.0 CB D:HIS248 3.7 40.2 1.0 HD2 D:HIS173 3.7 62.2 1.0 CA D:HIS248 3.8 45.3 1.0 H D:ASN124 3.8 39.4 1.0 NE2 D:HIS248 3.9 44.0 1.0 OD2 D:ASP64 4.0 41.4 1.0 CD2 D:HIS248 4.2 42.3 1.0 CD2 D:HIS125 4.2 39.6 1.0 O D:HIS248 4.2 49.5 1.0 HD22 D:ASN124 4.2 40.0 1.0 ND1 D:HIS173 4.2 35.8 1.0 CB D:ASN124 4.4 43.1 1.0 HE1 D:HIS66 4.4 67.5 1.0 CG D:HIS173 4.5 38.3 1.0 C D:HIS248 4.5 49.5 1.0 CB D:ASP92 4.5 38.9 1.0 H D:HIS125 4.6 44.9 1.0 N D:ASN124 4.6 32.8 1.0 HB2 D:ASP92 4.6 46.7 1.0 HB3 D:ASN124 4.6 51.7 1.0 HB3 D:HIS248 4.7 48.2 1.0 HE2 D:HIS248 4.7 52.8 1.0 O D:LEU205 4.7 35.7 1.0 NE2 D:HIS125 4.8 43.4 1.0 HB3 D:ASP92 4.8 46.7 1.0 HH12 D:ARG221 4.8 71.7 1.0 N D:HIS248 4.9 39.1 1.0 CG D:ASP64 4.9 39.7 1.0 HD1 D:HIS173 4.9 42.9 1.0 H D:HIS248 4.9 46.9 1.0 NE2 D:HIS66 5.0 49.9 1.0

S.Mouilleron, R.Treisman, R.Fedoryshchak, K.Elbouri. Identification of the 4E-Bps As Substrates For the Neurabin/Spinophilin PP1 Holoenzyme Shows How Pips Can Determine PP1 Substrate Specificity To Be Published.