Iron in PDB 3n38: Ribonucleotide Reductase Nrdf From Escherichia Coli Soaked with Ferrous Ions

All present enzymatic activity of Ribonucleotide Reductase Nrdf From Escherichia Coli Soaked with Ferrous Ions:
1.17.4.1;

The structure of Ribonucleotide Reductase Nrdf From Escherichia Coli Soaked with Ferrous Ions, PDB code: 3n38 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)	68.53 / 1.90
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.137, 79.137, 267.981, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 22

The binding sites of Iron atom in the Ribonucleotide Reductase Nrdf From Escherichia Coli Soaked with Ferrous Ions (pdb code 3n38). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ribonucleotide Reductase Nrdf From Escherichia Coli Soaked with Ferrous Ions, PDB code: 3n38:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ribonucleotide Reductase Nrdf From Escherichia Coli Soaked with Ferrous Ions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ribonucleotide Reductase Nrdf From Escherichia Coli Soaked with Ferrous Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe320 b:38.1 occ:0.50 OE2 A:GLU192 1.8 43.0 1.0 OD1 A:ASP67 1.9 33.6 1.0 ND1 A:HIS101 2.1 25.1 1.0 OE1 A:GLU98 2.3 37.0 1.0 CD A:GLU192 2.8 38.5 1.0 CG A:ASP67 3.0 32.9 1.0 CD A:GLU98 3.0 34.4 1.0 CE1 A:HIS101 3.1 25.3 1.0 CG A:HIS101 3.1 24.8 1.0 OE2 A:GLU98 3.2 37.9 1.0 OE1 A:GLU192 3.3 41.6 1.0 CB A:HIS101 3.4 24.5 1.0 OD2 A:ASP67 3.7 34.4 1.0 CZ A:PHE162 3.9 35.8 1.0 FE A:FE2321 4.0 35.2 0.5 CB A:ASP67 4.0 31.2 1.0 CG A:GLU192 4.1 32.7 1.0 NE2 A:HIS101 4.2 25.0 1.0 CD2 A:HIS101 4.2 24.9 1.0 CA A:GLU98 4.3 25.4 1.0 O A:HOH388 4.3 32.8 1.0 CE2 A:PHE162 4.3 35.9 1.0 CG A:GLU98 4.3 28.1 1.0 CG2 A:ILE188 4.4 25.3 1.0 CA A:ASP67 4.5 30.9 1.0 CE1 A:PHE162 4.6 35.4 1.0 CB A:GLU98 4.6 25.9 1.0 O A:GLU98 4.8 25.0 1.0 CA A:HIS101 5.0 25.1 1.0 OE1 A:GLU158 5.0 42.8 1.0

Iron binding site 2 out of 2 in the Ribonucleotide Reductase Nrdf From Escherichia Coli Soaked with Ferrous Ions


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ribonucleotide Reductase Nrdf From Escherichia Coli Soaked with Ferrous Ions within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe321 b:35.2 occ:0.50 OE2 A:GLU98 1.9 37.9 1.0 OE1 A:GLU158 1.9 42.8 1.0 OE1 A:GLU192 2.0 41.6 1.0 ND1 A:HIS195 2.2 25.1 1.0 OE2 A:GLU158 2.3 42.2 1.0 CD A:GLU158 2.4 40.5 1.0 CD A:GLU98 3.0 34.4 1.0 CD A:GLU192 3.1 38.5 1.0 CE1 A:HIS195 3.1 25.5 1.0 CG A:HIS195 3.3 25.5 1.0 CB A:HIS195 3.6 26.9 1.0 OE2 A:GLU192 3.7 43.0 1.0 OE1 A:GLU98 3.7 37.0 1.0 CG A:GLU158 3.9 36.0 1.0 FE A:FE2320 4.0 38.1 0.5 CG A:GLU98 4.1 28.1 1.0 CA A:GLU192 4.2 28.1 1.0 NE2 A:HIS195 4.3 24.0 1.0 CG A:GLN70 4.4 33.9 1.0 CG A:GLU192 4.4 32.7 1.0 CD2 A:HIS195 4.4 23.3 1.0 CB A:GLU192 4.5 28.4 1.0 CG2 A:ILE94 4.6 24.6 1.0 CB A:GLU158 4.6 33.0 1.0 CE1 A:HIS101 4.7 25.3 1.0 N A:GLU192 4.8 27.7 1.0 CE2 A:PHE162 4.9 35.9 1.0 ND1 A:HIS101 4.9 25.1 1.0 OE1 A:GLN70 4.9 38.7 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