Manganese in PDB 1jk7: Crystal Structure of the Tumor-Promoter Okadaic Acid Bound to Protein Phosphatase-1

All present enzymatic activity of Crystal Structure of the Tumor-Promoter Okadaic Acid Bound to Protein Phosphatase-1:
3.1.3.16;

The structure of Crystal Structure of the Tumor-Promoter Okadaic Acid Bound to Protein Phosphatase-1, PDB code: 1jk7 was solved by J.T.Maynes, K.S.Bateman, M.M.Cherney, A.K.Das, M.N.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.66 / 1.90
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	99.180, 99.180, 62.170, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.5

The binding sites of Manganese atom in the Crystal Structure of the Tumor-Promoter Okadaic Acid Bound to Protein Phosphatase-1 (pdb code 1jk7). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of the Tumor-Promoter Okadaic Acid Bound to Protein Phosphatase-1, PDB code: 1jk7:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of the Tumor-Promoter Okadaic Acid 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 Crystal Structure of the Tumor-Promoter Okadaic Acid Bound to Protein Phosphatase-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn400 b:21.2 occ:1.00 OD1 A:ASN124 2.1 20.4 1.0 OD2 A:ASP92 2.2 16.8 1.0 NE2 A:HIS173 2.2 16.9 1.0 ND1 A:HIS248 2.2 19.1 1.0 O A:HOH2118 2.3 28.8 1.0 CE1 A:HIS248 3.1 20.6 1.0 CG A:ASP92 3.1 18.5 1.0 CE1 A:HIS173 3.1 18.2 1.0 CD2 A:HIS173 3.2 17.4 1.0 CG A:ASN124 3.2 19.2 1.0 CG A:HIS248 3.3 20.5 1.0 MN A:MN401 3.3 75.2 1.0 OD1 A:ASP92 3.4 16.8 1.0 CA A:HIS248 3.4 24.4 1.0 CB A:HIS248 3.7 19.4 1.0 ND2 A:ASN124 3.9 18.5 1.0 O A:HIS248 3.9 27.4 1.0 OD2 A:ASP64 4.0 21.2 1.0 CD2 A:HIS125 4.1 22.8 1.0 O A:HOH2119 4.1 33.2 1.0 C A:HIS248 4.2 26.1 1.0 NE2 A:HIS248 4.2 21.4 1.0 ND1 A:HIS173 4.2 17.3 1.0 N A:ASN124 4.3 17.4 1.0 CG A:HIS173 4.3 18.8 1.0 CD2 A:HIS248 4.3 19.0 1.0 CB A:ASN124 4.4 17.4 1.0 N A:HIS248 4.4 22.4 1.0 CB A:ASP92 4.4 18.8 1.0 CG A:ASP64 4.8 24.0 1.0 NE2 A:HIS125 4.8 23.6 1.0 O A:LEU205 4.8 21.6 1.0 OD1 A:ASP64 4.9 18.9 1.0 CA A:ASN124 4.9 19.6 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of the Tumor-Promoter Okadaic Acid 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 Crystal Structure of the Tumor-Promoter Okadaic Acid Bound to Protein Phosphatase-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:75.2 occ:1.00 OD2 A:ASP64 2.0 21.2 1.0 O A:HOH2118 2.4 28.8 1.0 OD2 A:ASP92 2.4 16.8 1.0 NE2 A:HIS66 2.4 19.6 1.0 CG A:ASP64 3.2 24.0 1.0 MN A:MN400 3.3 21.2 1.0 CE1 A:HIS66 3.3 21.3 1.0 CG A:ASP92 3.5 18.5 1.0 CD2 A:HIS66 3.5 20.6 1.0 O A:HIS248 3.7 27.4 1.0 CB A:ASP64 3.9 21.2 1.0 CB A:ASP92 3.9 18.8 1.0 CE1 A:PHE267 4.1 27.1 1.0 OD1 A:ASP64 4.1 18.9 1.0 CD2 A:HIS125 4.2 22.8 1.0 C A:HIS248 4.3 26.1 1.0 CA A:HIS248 4.3 24.4 1.0 O A:HOH2119 4.3 33.2 1.0 NE2 A:HIS125 4.4 23.6 1.0 O A:HOH2120 4.4 38.3 1.0 ND1 A:HIS66 4.5 20.2 1.0 OD1 A:ASP92 4.5 16.8 1.0 CG A:HIS66 4.6 21.0 1.0 OH A:TYR272 4.7 34.7 1.0 NE2 A:HIS173 4.8 16.9 1.0 ND1 A:HIS248 4.8 19.1 1.0 OD1 A:ASN124 4.8 20.4 1.0 CE1 A:HIS173 4.8 18.2 1.0 CZ A:PHE267 4.9 27.3 1.0 CD1 A:PHE267 4.9 25.6 1.0 N A:HIS248 5.0 22.4 1.0

J.T.Maynes, K.S.Bateman, M.M.Cherney, A.K.Das, H.A.Luu, C.F.Holmes, M.N.James. Crystal Structure of the Tumor-Promoter Okadaic Acid Bound to Protein Phosphatase-1. J.Biol.Chem. V. 276 44078 2001.
ISSN: ISSN 0021-9258
PubMed: 11535607
DOI: 10.1074/JBC.M107656200