Manganese in PDB 3n37: Ribonucleotide Reductase Dimanganese(II)-Nrdf From Escherichia Coli

All present enzymatic activity of Ribonucleotide Reductase Dimanganese(II)-Nrdf From Escherichia Coli:
1.17.4.1;

The structure of Ribonucleotide Reductase Dimanganese(II)-Nrdf From Escherichia Coli, PDB code: 3n37 was solved by A.K.Boal, J.A.Cotruvo Jr., J.Stubbe, A.C.Rosenzweig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.67 / 1.65
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	78.142, 78.142, 266.754, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 18.5

The binding sites of Manganese atom in the Ribonucleotide Reductase Dimanganese(II)-Nrdf From Escherichia Coli (pdb code 3n37). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Ribonucleotide Reductase Dimanganese(II)-Nrdf From Escherichia Coli, PDB code: 3n37:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Ribonucleotide Reductase Dimanganese(II)-Nrdf From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Ribonucleotide Reductase Dimanganese(II)-Nrdf From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn320 b:11.9 occ:1.00 OD1 A:ASP67 2.1 11.4 1.0 OE1 A:GLU98 2.1 11.1 1.0 OE2 A:GLU192 2.2 11.9 1.0 OE1 A:GLU158 2.2 12.4 1.0 O A:HOH401 2.3 9.2 1.0 ND1 A:HIS101 2.3 11.5 1.0 CG A:ASP67 3.1 11.5 1.0 CE1 A:HIS101 3.2 11.3 1.0 CD A:GLU192 3.2 12.4 1.0 CD A:GLU158 3.2 10.3 1.0 CD A:GLU98 3.3 11.3 1.0 CG A:HIS101 3.4 10.8 1.0 OE2 A:GLU158 3.5 11.6 1.0 OD2 A:ASP67 3.5 11.1 1.0 MN A:MN321 3.7 12.0 1.0 CG A:GLU192 3.8 12.4 1.0 CB A:HIS101 3.8 11.7 1.0 OE2 A:GLU98 3.9 9.7 1.0 OE1 A:GLU192 4.1 11.2 1.0 NE2 A:HIS101 4.4 11.6 1.0 CA A:GLU98 4.4 10.6 1.0 CB A:ASP67 4.5 12.5 1.0 CD2 A:HIS101 4.5 11.6 1.0 CG A:GLU98 4.5 10.8 1.0 CG A:GLU158 4.6 10.8 1.0 CB A:GLU98 4.6 10.7 1.0 CG2 A:ILE188 4.7 12.2 1.0 CE1 A:PHE162 4.9 13.9 1.0 CA A:ASP67 4.9 12.1 1.0 CZ A:PHE162 4.9 14.2 1.0 CB A:GLN70 5.0 12.1 1.0

Manganese binding site 2 out of 2 in the Ribonucleotide Reductase Dimanganese(II)-Nrdf From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Ribonucleotide Reductase Dimanganese(II)-Nrdf From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn321 b:12.0 occ:1.00 O A:HOH688 2.1 10.7 1.0 OE2 A:GLU98 2.1 9.7 1.0 OE2 A:GLU158 2.1 11.6 1.0 OE1 A:GLU192 2.2 11.2 1.0 ND1 A:HIS195 2.3 12.2 1.0 OE2 A:GLU192 2.3 11.9 1.0 CD A:GLU192 2.6 12.4 1.0 CD A:GLU98 3.0 11.3 1.0 CD A:GLU158 3.1 10.3 1.0 CE1 A:HIS195 3.2 12.1 1.0 OE1 A:GLU98 3.2 11.1 1.0 CG A:HIS195 3.3 11.7 1.0 OE1 A:GLU158 3.5 12.4 1.0 CB A:HIS195 3.6 11.6 1.0 MN A:MN320 3.7 11.9 1.0 O A:HOH434 3.8 16.2 1.0 CG A:GLU192 4.1 12.4 1.0 CG A:GLU158 4.2 10.8 1.0 O A:HOH429 4.2 11.3 1.0 OE1 A:GLN70 4.3 16.8 1.0 CB A:GLU158 4.3 12.1 1.0 NE2 A:HIS195 4.4 12.2 1.0 CG A:GLU98 4.4 10.8 1.0 CD2 A:HIS195 4.5 12.7 1.0 CG2 A:ILE94 4.6 10.8 1.0 CA A:GLU192 4.9 11.9 1.0 CB A:GLU192 4.9 11.8 1.0 CE1 A:HIS101 5.0 11.3 1.0 O A:HOH405 5.0 12.1 1.0

A.K.Boal, J.A.Cotruvo, J.Stubbe, A.C.Rosenzweig. Structural Basis For Activation of Class Ib Ribonucleotide Reductase. Science V. 329 1526 2010.
ISSN: ISSN 0036-8075
PubMed: 20688982
DOI: 10.1126/SCIENCE.1190187