Manganese in PDB 3twz: Phosphorylated Bacillus Cereus Phosphopentomutase in Space Group P212121

All present enzymatic activity of Phosphorylated Bacillus Cereus Phosphopentomutase in Space Group P212121:
5.4.2.7;

The structure of Phosphorylated Bacillus Cereus Phosphopentomutase in Space Group P212121, PDB code: 3twz was solved by T.P.Panosian, D.P.Nanneman, B.O.Bachmann, T.M.Iverson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.675, 76.581, 97.374, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 19.2

The binding sites of Manganese atom in the Phosphorylated Bacillus Cereus Phosphopentomutase in Space Group P212121 (pdb code 3twz). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Phosphorylated Bacillus Cereus Phosphopentomutase in Space Group P212121, PDB code: 3twz:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Phosphorylated Bacillus Cereus Phosphopentomutase in Space Group P212121


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Phosphorylated Bacillus Cereus Phosphopentomutase in Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn395 b:20.3 occ:1.00 O1P A:TPO85 1.9 12.3 0.2 OD1 A:ASP286 2.1 16.5 1.0 NE2 A:HIS291 2.2 10.4 1.0 OD2 A:ASP156 2.2 17.7 1.0 NE2 A:HIS339 2.2 12.8 1.0 OD1 A:ASP156 2.7 18.7 1.0 CG A:ASP156 2.8 16.4 1.0 CG A:ASP286 2.8 14.9 1.0 OD2 A:ASP286 2.8 16.2 1.0 CD2 A:HIS291 3.1 11.1 1.0 CE1 A:HIS339 3.2 14.0 1.0 CE1 A:HIS291 3.2 11.6 1.0 CD2 A:HIS339 3.2 14.2 1.0 P A:TPO85 3.3 13.4 0.2 O2P A:TPO85 3.8 13.4 0.2 O A:HOH789 3.9 28.9 1.0 O3P A:TPO85 4.1 13.2 0.2 OG1 A:TPO85 4.2 13.4 1.0 ND1 A:HIS291 4.3 12.5 1.0 CB A:ASP286 4.3 14.2 1.0 CG A:HIS291 4.3 12.4 1.0 CB A:ASP156 4.3 14.9 1.0 ND1 A:HIS339 4.3 14.9 1.0 CG A:HIS339 4.3 12.9 1.0 O A:HOH751 4.4 15.0 1.0 ND2 A:ASN330 4.4 11.8 1.0 O A:HOH409 4.5 15.0 1.0 CE1 A:HIS328 4.6 14.1 1.0 O A:HOH528 4.7 55.9 1.0 NE2 A:HIS328 4.8 12.1 1.0 O A:HOH638 4.8 20.7 1.0 CA A:ASP156 4.9 14.5 1.0 MN A:MN396 5.0 21.0 1.0

Manganese binding site 2 out of 2 in the Phosphorylated Bacillus Cereus Phosphopentomutase in Space Group P212121


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Phosphorylated Bacillus Cereus Phosphopentomutase in Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn396 b:21.0 occ:1.00 OD1 A:ASP13 2.1 12.7 1.0 OD2 A:ASP327 2.1 13.9 1.0 NE2 A:HIS328 2.2 12.1 1.0 OG1 A:TPO85 2.2 13.4 1.0 OD2 A:ASP13 2.5 14.7 1.0 CG A:ASP13 2.6 14.0 1.0 O2P A:TPO85 2.9 13.4 0.2 CG A:ASP327 2.9 13.6 1.0 CD2 A:HIS328 3.0 13.2 1.0 OD1 A:ASP327 3.1 13.7 1.0 P A:TPO85 3.1 13.4 0.2 CB A:TPO85 3.1 12.0 1.0 CE1 A:HIS328 3.2 14.1 1.0 CG2 A:TPO85 3.3 12.5 1.0 CA A:TPO85 3.6 11.8 1.0 O1P A:TPO85 3.7 12.3 0.2 CB A:ASP13 4.1 12.6 1.0 CG A:HIS328 4.2 12.8 1.0 ND1 A:HIS328 4.3 13.5 1.0 O A:HOH516 4.3 34.1 1.0 CE1 A:HIS339 4.3 14.0 1.0 N A:TPO85 4.3 11.1 1.0 CB A:ASP327 4.4 12.9 1.0 N A:SER14 4.4 12.2 1.0 O3P A:TPO85 4.4 13.2 0.2 CG A:ASP286 4.5 14.9 1.0 NE2 A:HIS89 4.6 9.3 1.0 CA A:ASP13 4.6 12.5 1.0 OD2 A:ASP286 4.6 16.2 1.0 OD1 A:ASP286 4.7 16.5 1.0 NE2 A:HIS339 4.7 12.8 1.0 C A:ASP13 4.7 12.7 1.0 CD2 A:HIS89 4.7 6.6 1.0 C A:TPO85 4.8 11.7 1.0 CB A:ASP286 5.0 14.2 1.0 MN A:MN395 5.0 20.3 1.0 O A:TPO85 5.0 11.5 1.0

T.M.Iverson, T.D.Panosian, W.R.Birmingham, D.P.Nannemann, B.O.Bachmann. Molecular Differences Between A Mutase and A Phosphatase: Investigations of the Activation Step in Bacillus Cereus Phosphopentomutase. Biochemistry V. 51 1964 2012.
ISSN: ISSN 0006-2960
PubMed: 22329805
DOI: 10.1021/BI201761H