Manganese in PDB 5hpe: Phosphatase Domain of PP5 Bound to A Phosphomimetic CDC37 Substrate Peptide

All present enzymatic activity of Phosphatase Domain of PP5 Bound to A Phosphomimetic CDC37 Substrate Peptide:
3.1.3.16;

The structure of Phosphatase Domain of PP5 Bound to A Phosphomimetic CDC37 Substrate Peptide, PDB code: 5hpe was solved by J.Oberoi, L.Mariotti, C.Vaughan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.39 / 2.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.314, 65.164, 132.117, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 23.6

The structure of Phosphatase Domain of PP5 Bound to A Phosphomimetic CDC37 Substrate Peptide also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Manganese atom in the Phosphatase Domain of PP5 Bound to A Phosphomimetic CDC37 Substrate Peptide (pdb code 5hpe). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Phosphatase Domain of PP5 Bound to A Phosphomimetic CDC37 Substrate Peptide, PDB code: 5hpe:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Phosphatase Domain of PP5 Bound to A Phosphomimetic CDC37 Substrate Peptide


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Phosphatase Domain of PP5 Bound to A Phosphomimetic CDC37 Substrate Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1101 b:7.0 occ:1.00 OD1 A:ASN303 2.1 6.1 1.0 NE2 A:HIS352 2.2 9.4 1.0 ND1 A:HIS427 2.2 7.7 1.0 O A:HOH1203 2.2 9.8 1.0 OD2 A:ASP271 2.4 7.7 1.0 CE1 A:HIS427 3.0 8.3 1.0 OE1 A:GLU1013 3.1 10.0 1.0 CE1 A:HIS352 3.1 7.6 1.0 CG A:ASN303 3.2 6.5 1.0 CD2 A:HIS352 3.2 8.0 1.0 CG A:ASP271 3.2 9.6 1.0 CG A:HIS427 3.3 7.9 1.0 MN A:MN1102 3.4 10.4 1.0 OD1 A:ASP271 3.5 9.4 1.0 CA A:HIS427 3.5 11.1 1.0 ND2 A:ASN303 3.6 7.3 1.0 CB A:HIS427 3.7 8.8 1.0 O A:HIS427 4.0 11.2 1.0 CD A:GLU1013 4.0 18.8 1.0 OD2 A:ASP242 4.0 14.0 1.0 NE2 A:HIS427 4.2 6.5 1.0 ND1 A:HIS352 4.2 7.0 1.0 C A:HIS427 4.3 12.1 1.0 CG A:HIS352 4.3 9.0 1.0 CD2 A:HIS427 4.3 6.5 1.0 OE2 A:GLU1013 4.4 13.4 1.0 CD2 A:HIS304 4.4 9.0 1.0 N A:ASN303 4.4 8.4 1.0 CB A:ASN303 4.4 10.1 1.0 CB A:ASP271 4.5 8.7 1.0 N A:HIS427 4.6 11.6 1.0 O A:LEU385 4.6 9.0 1.0 CG A:ASP242 4.8 12.1 1.0 OD1 A:ASP242 4.9 9.9 1.0 CA A:ASN303 5.0 8.0 1.0

Manganese binding site 2 out of 2 in the Phosphatase Domain of PP5 Bound to A Phosphomimetic CDC37 Substrate Peptide


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Phosphatase Domain of PP5 Bound to A Phosphomimetic CDC37 Substrate Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1102 b:10.4 occ:1.00 OD2 A:ASP242 1.9 14.0 1.0 NE2 A:HIS244 2.2 11.7 1.0 OD2 A:ASP271 2.2 7.7 1.0 O A:HOH1203 2.4 9.8 1.0 O A:HOH1257 2.4 5.4 1.0 CG A:ASP242 3.1 12.1 1.0 CE1 A:HIS244 3.1 12.8 1.0 CD2 A:HIS244 3.1 8.2 1.0 OE2 A:GLU1013 3.2 13.4 1.0 CG A:ASP271 3.3 9.6 1.0 MN A:MN1101 3.4 7.0 1.0 CB A:ASP271 3.7 8.7 1.0 OE1 A:GLU1013 3.9 10.0 1.0 CB A:ASP242 3.9 10.1 1.0 OD1 A:ASP242 3.9 9.9 1.0 CD A:GLU1013 4.0 18.8 1.0 O A:HOH1282 4.2 5.3 1.0 ND1 A:HIS244 4.2 10.3 1.0 CG A:HIS244 4.3 11.5 1.0 CD2 A:HIS304 4.3 9.0 1.0 OD1 A:ASP271 4.4 9.4 1.0 O A:HIS427 4.4 11.2 1.0 OH A:TYR451 4.4 13.5 1.0 CA A:HIS427 4.5 11.1 1.0 CE1 A:HIS352 4.5 7.6 1.0 CE1 A:PHE446 4.5 13.2 1.0 C A:HIS427 4.5 12.1 1.0 NE2 A:HIS352 4.6 9.4 1.0 NE2 A:HIS304 4.8 11.1 1.0 OD1 A:ASN303 5.0 6.1 1.0 ND1 A:HIS427 5.0 7.7 1.0

J.Oberoi, D.M.Dunn, M.R.Woodford, L.Mariotti, J.Schulman, D.Bourboulia, M.Mollapour, C.K.Vaughan. Structural and Functional Basis of Protein Phosphatase 5 Substrate Specificity. Proc.Natl.Acad.Sci.Usa V. 113 9009 2016.
ISSN: ESSN 1091-6490
PubMed: 27466404
DOI: 10.1073/PNAS.1603059113