Manganese in PDB 2bdx: X-Ray Crystal Structure of Dihydromicrocystin-La Bound to Protein Phosphatase-1

All present enzymatic activity of X-Ray Crystal Structure of Dihydromicrocystin-La Bound to Protein Phosphatase-1:
3.1.3.16;

The structure of X-Ray Crystal Structure of Dihydromicrocystin-La Bound to Protein Phosphatase-1, PDB code: 2bdx was solved by J.T.Maynes, H.A.Luu, M.M.Cherney, R.J.Andersen, D.Williams, C.F.Holmes, M.N.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.36 / 2.30
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.978, 99.978, 62.949, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 25

The binding sites of Manganese atom in the X-Ray Crystal Structure of Dihydromicrocystin-La Bound to Protein Phosphatase-1 (pdb code 2bdx). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Crystal Structure of Dihydromicrocystin-La Bound to Protein Phosphatase-1, PDB code: 2bdx:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the X-Ray Crystal Structure of Dihydromicrocystin-La Bound to Protein Phosphatase-1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Crystal Structure of Dihydromicrocystin-La Bound to Protein Phosphatase-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn400 b:15.3 occ:1.00 O A:HOH523 1.9 7.6 1.0 OD1 A:ASN124 2.0 17.4 1.0 NE2 A:HIS173 2.1 15.0 1.0 ND1 A:HIS248 2.2 18.7 1.0 OD2 A:ASP92 2.3 12.0 1.0 CD2 A:HIS173 3.0 15.2 1.0 CE1 A:HIS173 3.1 15.6 1.0 CE1 A:HIS248 3.1 16.6 1.0 CG A:ASN124 3.2 16.9 1.0 CG A:ASP92 3.2 14.0 1.0 MN A:MN401 3.3 18.6 1.0 CG A:HIS248 3.3 16.6 1.0 O A:HOH514 3.4 22.3 1.0 OD1 A:ASP92 3.5 14.1 1.0 CA A:HIS248 3.5 19.0 1.0 CB A:HIS248 3.7 17.8 1.0 ND2 A:ASN124 3.8 15.0 1.0 O A:HIS248 3.9 21.9 1.0 OD2 A:ASP64 4.0 18.5 1.0 CD2 A:HIS125 4.1 18.7 1.0 ND1 A:HIS173 4.2 12.2 1.0 CG A:HIS173 4.2 17.4 1.0 C A:HIS248 4.2 20.4 1.0 NE2 A:HIS248 4.3 15.6 1.0 N A:ASN124 4.3 16.6 1.0 CB A:ASN124 4.4 17.2 1.0 CD2 A:HIS248 4.4 14.4 1.0 CB A:ASP92 4.4 15.2 1.0 N A:HIS248 4.6 17.7 1.0 O A:LEU205 4.6 20.2 1.0 NE2 A:HIS125 4.7 19.9 1.0 O A:HOH524 4.7 26.3 1.0 OD1 A:ASP64 4.8 18.1 1.0 CG A:ASP64 4.8 20.0 1.0 CA A:ASN124 4.9 17.6 1.0

Manganese binding site 2 out of 2 in the X-Ray Crystal Structure of Dihydromicrocystin-La Bound to Protein Phosphatase-1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Crystal Structure of Dihydromicrocystin-La Bound to Protein Phosphatase-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:18.6 occ:1.00 O A:HOH524 2.0 26.3 1.0 OD2 A:ASP64 2.0 18.5 1.0 O A:HOH523 2.2 7.6 1.0 NE2 A:HIS66 2.2 14.2 1.0 OD2 A:ASP92 2.2 12.0 1.0 CE1 A:HIS66 3.1 17.4 1.0 CG A:ASP64 3.1 20.0 1.0 CD2 A:HIS66 3.2 14.6 1.0 MN A:MN400 3.3 15.3 1.0 CG A:ASP92 3.3 14.0 1.0 CB A:ASP92 3.7 15.2 1.0 CB A:ASP64 3.9 19.6 1.0 O A:HIS248 4.0 21.9 1.0 OD1 A:ASP64 4.0 18.1 1.0 O A:HOH514 4.1 22.3 1.0 CD2 A:HIS125 4.1 18.7 1.0 NE2 A:HIS125 4.2 19.9 1.0 ND1 A:HIS66 4.2 16.8 1.0 CG A:HIS66 4.3 18.2 1.0 O B:FGA6 4.4 40.2 1.0 OD1 A:ASP92 4.4 14.1 1.0 CE1 A:PHE267 4.4 22.4 1.0 CA A:HIS248 4.5 19.0 1.0 C A:HIS248 4.5 20.4 1.0 NE2 A:HIS173 4.5 15.0 1.0 CE1 A:HIS173 4.6 15.6 1.0 OH A:TYR272 4.6 32.3 1.0 OD1 A:ASN124 4.7 17.4 1.0 OXT B:FGA6 4.9 41.4 1.0 ND1 A:HIS248 4.9 18.7 1.0

J.T.Maynes, H.A.Luu, M.M.Cherney, R.J.Andersen, D.Williams, C.F.Holmes, M.N.James. Crystal Structures of Protein Phosphatase-1 Bound to Motuporin and Dihydromicrocystin-La: Elucidation of the Mechanism of Enzyme Inhibition By Cyanobacterial Toxins. J.Mol.Biol. V. 356 111 2006.
ISSN: ISSN 0022-2836
PubMed: 16343532
DOI: 10.1016/J.JMB.2005.11.019