Manganese in PDB 3tx0: Unphosphorylated Bacillus Cereus Phosphopentomutase in A P212121 Crystal Form

All present enzymatic activity of Unphosphorylated Bacillus Cereus Phosphopentomutase in A P212121 Crystal Form:
5.4.2.7;

The structure of Unphosphorylated Bacillus Cereus Phosphopentomutase in A P212121 Crystal Form, PDB code: 3tx0 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 / 2.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.975, 75.706, 95.562, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 24.6

The binding sites of Manganese atom in the Unphosphorylated Bacillus Cereus Phosphopentomutase in A P212121 Crystal Form (pdb code 3tx0). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Unphosphorylated Bacillus Cereus Phosphopentomutase in A P212121 Crystal Form, PDB code: 3tx0:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Unphosphorylated Bacillus Cereus Phosphopentomutase in A P212121 Crystal Form


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Unphosphorylated Bacillus Cereus Phosphopentomutase in A P212121 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn395 b:44.3 occ:1.00 NE2 A:HIS339 1.9 30.9 1.0 OD1 A:ASP286 1.9 30.8 1.0 OD2 A:ASP156 2.1 35.5 1.0 NE2 A:HIS291 2.2 32.9 1.0 CG A:ASP286 2.8 29.8 1.0 CD2 A:HIS339 2.8 29.8 1.0 CG A:ASP156 2.9 39.8 1.0 CE1 A:HIS339 2.9 30.9 1.0 OD1 A:ASP156 3.0 44.6 1.0 OD2 A:ASP286 3.0 30.1 1.0 CD2 A:HIS291 3.1 33.4 1.0 CE1 A:HIS291 3.2 31.3 1.0 O A:ALA155 3.9 37.4 1.0 CG A:HIS339 4.0 29.2 1.0 ND1 A:HIS339 4.0 28.3 1.0 CB A:ASP286 4.2 26.8 1.0 CG A:HIS291 4.2 31.8 1.0 ND1 A:HIS291 4.3 33.2 1.0 CG2 A:VAL103 4.3 20.9 1.0 CB A:ASP156 4.3 38.1 1.0 OG1 A:THR85 4.4 27.2 1.0 CE1 A:HIS328 4.4 26.0 1.0 C A:ALA155 4.4 37.6 1.0 ND2 A:ASN330 4.4 25.0 1.0 CB A:ALA155 4.6 37.0 1.0 NE2 A:HIS328 4.7 24.3 1.0 CA A:ASP156 4.8 37.6 1.0 N A:ASP156 4.8 37.6 1.0 MN A:MN396 5.0 63.9 1.0

Manganese binding site 2 out of 2 in the Unphosphorylated Bacillus Cereus Phosphopentomutase in A P212121 Crystal Form


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Unphosphorylated Bacillus Cereus Phosphopentomutase in A P212121 Crystal Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn396 b:63.9 occ:1.00 OG1 A:THR85 2.1 27.2 1.0 NE2 A:HIS328 2.1 24.3 1.0 OD1 A:ASP13 2.1 27.8 1.0 OD2 A:ASP327 2.4 27.6 1.0 CG A:ASP13 2.8 28.0 1.0 CD2 A:HIS328 2.9 23.6 1.0 OD2 A:ASP13 3.0 30.6 1.0 CB A:THR85 3.0 25.0 1.0 CG A:ASP327 3.1 26.7 1.0 OD1 A:ASP327 3.2 27.9 1.0 CE1 A:HIS328 3.2 26.0 1.0 CG2 A:THR85 3.4 24.0 1.0 CA A:THR85 3.4 24.9 1.0 OD1 A:ASP156 4.0 44.6 1.0 CG A:HIS328 4.1 22.7 1.0 N A:THR85 4.1 24.7 1.0 CB A:ASP13 4.2 25.0 1.0 ND1 A:HIS328 4.2 23.4 1.0 N A:SER14 4.4 22.5 1.0 CE1 A:HIS339 4.4 30.9 1.0 NE2 A:HIS89 4.5 16.4 1.0 OD1 A:ASP286 4.5 30.8 1.0 CA A:ASP13 4.5 24.7 1.0 CB A:ASP327 4.6 25.0 1.0 CG A:ASP286 4.7 29.8 1.0 C A:THR85 4.7 25.5 1.0 C A:ASP13 4.8 24.0 1.0 NE2 A:HIS339 4.8 30.9 1.0 CD2 A:HIS89 4.8 16.1 1.0 C A:ASP84 4.9 24.0 1.0 O A:THR85 4.9 25.8 1.0 CB A:ASP286 4.9 26.8 1.0 MN A:MN395 5.0 44.3 1.0 ND1 A:HIS339 5.0 28.3 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