Manganese in PDB 7upi: Cryo-Em Structure of SHOC2-PP1C-Mras Holophosphatase Complex

All present enzymatic activity of Cryo-Em Structure of SHOC2-PP1C-Mras Holophosphatase Complex:
3.1.3.16; 3.6.5.2;

The structure of Cryo-Em Structure of SHOC2-PP1C-Mras Holophosphatase Complex also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Magnesium	(Mg)	1 atom

The binding sites of Manganese atom in the Cryo-Em Structure of SHOC2-PP1C-Mras Holophosphatase Complex (pdb code 7upi). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Cryo-Em Structure of SHOC2-PP1C-Mras Holophosphatase Complex, PDB code: 7upi:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Cryo-Em Structure of SHOC2-PP1C-Mras Holophosphatase Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Cryo-Em Structure of SHOC2-PP1C-Mras Holophosphatase Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:67.1 occ:1.00 OD1 B:ASN124 1.8 53.9 1.0 OD2 B:ASP92 1.9 46.1 1.0 NE2 B:HIS173 2.3 39.4 1.0 ND1 B:HIS248 2.4 39.2 1.0 CG B:ASP92 2.9 40.1 1.0 CG B:ASN124 3.0 39.8 1.0 CE1 B:HIS248 3.0 42.6 1.0 CE1 B:HIS173 3.0 26.9 1.0 MN B:MN402 3.2 82.0 1.0 OD1 B:ASP92 3.2 46.9 1.0 CD2 B:HIS173 3.4 38.6 1.0 CG B:HIS248 3.5 39.4 1.0 ND2 B:ASN124 3.7 42.1 1.0 CA B:HIS248 3.7 34.7 1.0 CL B:CL403 3.9 53.1 1.0 OD2 B:ASP64 3.9 49.2 1.0 CB B:HIS248 4.0 32.0 1.0 CB B:ASN124 4.1 28.2 1.0 CD2 B:HIS125 4.2 50.2 1.0 O B:HIS248 4.2 50.1 1.0 CB B:ASP92 4.2 41.2 1.0 ND1 B:HIS173 4.2 35.9 1.0 NE2 B:HIS248 4.3 41.8 1.0 N B:ASN124 4.4 40.1 1.0 CG B:HIS173 4.4 35.5 1.0 C B:HIS248 4.5 42.7 1.0 CD2 B:HIS248 4.5 38.5 1.0 N B:HIS248 4.6 36.4 1.0 CG B:ASP64 4.7 47.6 1.0 OD1 B:ASP64 4.8 56.6 1.0 CA B:ASN124 4.8 34.3 1.0 NE2 B:HIS66 4.9 52.9 1.0 N B:HIS125 5.0 46.2 1.0 NE2 B:HIS125 5.0 52.5 1.0

Manganese binding site 2 out of 2 in the Cryo-Em Structure of SHOC2-PP1C-Mras Holophosphatase Complex


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Cryo-Em Structure of SHOC2-PP1C-Mras Holophosphatase Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn402 b:82.0 occ:1.00 NE2 B:HIS66 2.1 52.9 1.0 OD2 B:ASP92 2.3 46.1 1.0 OD2 B:ASP64 2.5 49.2 1.0 CE1 B:HIS66 2.8 45.6 1.0 MN B:MN401 3.2 67.1 1.0 CD2 B:HIS66 3.3 53.5 1.0 CG B:ASP92 3.3 40.1 1.0 CG B:ASP64 3.4 47.6 1.0 CL B:CL403 3.7 53.1 1.0 CB B:ASP92 3.7 41.2 1.0 ND1 B:HIS66 4.0 45.4 1.0 CB B:ASP64 4.0 38.0 1.0 O B:HIS248 4.2 50.1 1.0 CG B:HIS66 4.2 55.1 1.0 CD2 B:HIS125 4.3 50.2 1.0 OD1 B:ASP64 4.3 56.6 1.0 OD1 B:ASP92 4.3 46.9 1.0 OH B:TYR272 4.4 69.9 1.0 NH1 B:ARG96 4.4 73.5 1.0 OD1 B:ASN124 4.5 53.9 1.0 NE2 B:HIS125 4.6 52.5 1.0 CA B:HIS248 4.7 34.7 1.0 CE1 B:HIS173 4.8 26.9 1.0 NE2 B:HIS173 4.8 39.4 1.0 C B:HIS248 4.8 42.7 1.0 CE1 B:PHE267 4.8 55.5 1.0

J.J.Kwon, B.Hajian, Y.Bian, L.C.Young, A.J.Amor, J.R.Fuller, C.V.Fraley, A.M.Sykes, J.So, J.Pan, L.Baker, S.J.Lee, D.B.Wheeler, D.L.Mayhew, N.S.Persky, X.Yang, D.E.Root, A.M.Barsotti, A.W.Stamford, C.K.Perry, A.Burgin, F.Mccormick, C.T.Lemke, W.C.Hahn, A.J.Aguirre. Structure-Function Analysis of the SHOC2-Mras-PP1C Holophosphatase Complex. Nature V. 609 408 2022.
ISSN: ESSN 1476-4687
PubMed: 35831509
DOI: 10.1038/S41586-022-04928-2