Iron in PDB 5ci4: Ribonucleotide Reductase Beta Subunit

All present enzymatic activity of Ribonucleotide Reductase Beta Subunit:
1.17.4.1;

The structure of Ribonucleotide Reductase Beta Subunit, PDB code: 5ci4 was solved by M.A.Funk, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.75 / 2.05
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.508, 91.508, 205.179, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 22.1

The binding sites of Iron atom in the Ribonucleotide Reductase Beta Subunit (pdb code 5ci4). 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 Beta Subunit, PDB code: 5ci4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ribonucleotide Reductase Beta Subunit


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ribonucleotide Reductase Beta Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:59.5 occ:1.00 FE1 A:FEO401 0.0 59.5 1.0 O A:FEO401 1.8 69.3 1.0 OE1 A:GLU204 2.0 65.8 1.0 O A:HOH562 2.1 47.5 1.0 OE1 A:GLU238 2.1 57.1 1.0 ND1 A:HIS241 2.2 58.8 1.0 OE2 A:GLU115 2.2 62.6 1.0 CD A:GLU238 3.0 61.8 1.0 CE1 A:HIS241 3.0 60.1 1.0 CD A:GLU115 3.1 62.1 1.0 CD A:GLU204 3.1 66.6 1.0 FE2 A:FEO401 3.2 64.8 1.0 OE2 A:GLU238 3.2 64.3 1.0 CG A:HIS241 3.3 60.0 1.0 OE1 A:GLU115 3.3 62.2 1.0 CB A:HIS241 3.7 59.7 1.0 CG A:GLU204 3.7 65.0 1.0 OE2 A:GLU204 4.0 66.8 1.0 NE1 A:TRP111 4.1 57.8 1.0 NE2 A:HIS241 4.1 59.9 1.0 O A:HOH573 4.2 69.6 1.0 OD1 A:ASP84 4.3 65.9 1.0 CD2 A:HIS241 4.3 59.4 1.0 CG A:GLU238 4.3 63.6 1.0 CA A:GLU238 4.4 58.2 1.0 CG A:GLU115 4.4 60.7 1.0 CB A:GLU204 4.5 64.3 1.0 NE2 A:GLN87 4.6 58.3 1.0 CE1 A:HIS118 4.7 57.3 1.0 CB A:GLU238 4.7 61.8 1.0 ND1 A:HIS118 4.7 57.1 1.0 CD1 A:TRP111 4.7 58.2 1.0 OD2 A:ASP84 4.9 57.9 1.0

Iron binding site 2 out of 2 in the Ribonucleotide Reductase Beta Subunit


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ribonucleotide Reductase Beta Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:64.8 occ:1.00 FE2 A:FEO401 0.0 64.8 1.0 O A:FEO401 1.8 69.3 1.0 OD2 A:ASP84 2.0 57.9 1.0 OE1 A:GLU115 2.0 62.2 1.0 ND1 A:HIS118 2.2 57.1 1.0 O A:HOH573 2.3 69.6 1.0 CG A:ASP84 2.7 62.3 1.0 OD1 A:ASP84 2.8 65.9 1.0 CE1 A:HIS118 2.9 57.3 1.0 O A:HOH562 3.0 47.5 1.0 CD A:GLU115 3.1 62.1 1.0 FE1 A:FEO401 3.2 59.5 1.0 CG A:HIS118 3.3 54.6 1.0 OE2 A:GLU115 3.5 62.6 1.0 CB A:HIS118 3.8 53.2 1.0 OE2 A:GLU238 3.9 64.3 1.0 CB A:ASP84 4.1 57.6 1.0 NE2 A:HIS118 4.2 56.2 1.0 CZ A:PHE208 4.3 59.8 1.0 CD2 A:HIS118 4.3 55.6 1.0 CE1 A:HIS241 4.4 60.1 1.0 CE2 A:PHE208 4.4 60.6 1.0 CG A:GLU115 4.4 60.7 1.0 CG2 A:ILE234 4.4 54.3 1.0 CD A:GLU238 4.5 61.8 1.0 OE1 A:GLU238 4.5 57.1 1.0 ND1 A:HIS241 4.5 58.8 1.0 CA A:GLU115 4.6 55.5 1.0 CB A:GLU115 4.7 58.4 1.0 CE1 A:PHE208 4.9 60.2 1.0 OE1 A:GLU204 5.0 65.8 1.0

P.H.Oyala, K.R.Ravichandran, M.A.Funk, P.A.Stucky, T.A.Stich, C.L.Drennan, R.D.Britt, J.Stubbe. Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated Into Enzymes: E. Coli Ribonucleotide Reductase As An Example. J.Am.Chem.Soc. V. 138 7951 2016.
ISSN: ESSN 1520-5126
PubMed: 27276098
DOI: 10.1021/JACS.6B03605