Iron in PDB 4bmr: Crystal Structure of Ribonucleotide Reductase Apo-Nrdf From Bacillus Cereus (Space Group P21)

All present enzymatic activity of Crystal Structure of Ribonucleotide Reductase Apo-Nrdf From Bacillus Cereus (Space Group P21):
1.17.4.1;

The structure of Crystal Structure of Ribonucleotide Reductase Apo-Nrdf From Bacillus Cereus (Space Group P21), PDB code: 4bmr was solved by H.-P.Hersleth, A.B.Tomter, M.Hammerstad, A.K.Rohr, K.K.Andersson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.28 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.050, 53.850, 91.230, 90.00, 110.88, 90.00
R / Rfree (%)	20.832 / 25.973

The binding sites of Iron atom in the Crystal Structure of Ribonucleotide Reductase Apo-Nrdf From Bacillus Cereus (Space Group P21) (pdb code 4bmr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Ribonucleotide Reductase Apo-Nrdf From Bacillus Cereus (Space Group P21), PDB code: 4bmr:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Ribonucleotide Reductase Apo-Nrdf From Bacillus Cereus (Space Group P21)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Ribonucleotide Reductase Apo-Nrdf From Bacillus Cereus (Space Group P21) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1323 b:11.8 occ:0.25 OD1 A:ASP62 2.0 9.2 1.0 OE2 A:GLU195 2.7 22.6 1.0 CD A:GLU195 2.8 23.1 1.0 ND1 A:HIS96 2.8 9.2 1.0 CG A:ASP62 3.0 8.9 1.0 O A:HOH2036 3.0 22.6 1.0 OD2 A:ASP62 3.2 9.4 1.0 CZ A:PHE165 3.2 17.9 1.0 CG A:GLU195 3.3 20.7 1.0 OE1 A:GLU93 3.3 13.9 1.0 OE2 A:GLU93 3.4 16.2 1.0 OE1 A:GLU195 3.4 30.8 1.0 CE2 A:PHE165 3.6 18.3 1.0 CD A:GLU93 3.7 12.9 1.0 CE1 A:HIS96 3.7 8.9 1.0 CG A:HIS96 3.8 9.4 1.0 CG2 A:ILE191 3.9 13.2 1.0 CB A:HIS96 4.0 9.4 1.0 CE1 A:PHE165 4.0 18.2 1.0 CB A:ASP62 4.4 8.4 1.0 CD2 A:PHE165 4.6 17.7 1.0 OE2 A:GLU161 4.7 13.5 1.0 CB A:GLU195 4.8 19.4 1.0 CA A:GLU93 4.8 10.0 1.0 NE2 A:HIS96 4.8 9.2 1.0 CD1 A:PHE165 4.9 17.9 1.0 CD2 A:HIS96 4.9 9.1 1.0 CG A:GLU93 5.0 11.6 1.0 CA A:ASP62 5.0 8.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Ribonucleotide Reductase Apo-Nrdf From Bacillus Cereus (Space Group P21)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Ribonucleotide Reductase Apo-Nrdf From Bacillus Cereus (Space Group P21) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1323 b:17.4 occ:0.25 OD1 B:ASP62 2.1 14.6 1.0 ND1 B:HIS96 2.6 10.8 1.0 OE2 B:GLU195 2.7 10.2 1.0 CD B:GLU195 2.9 10.5 1.0 CG B:ASP62 2.9 14.9 1.0 OD2 B:ASP62 3.0 13.8 1.0 O B:HOH2023 3.0 21.0 1.0 CG B:GLU195 3.4 10.0 1.0 OE1 B:GLU93 3.4 21.3 1.0 CG B:HIS96 3.5 10.3 1.0 CZ B:PHE165 3.5 9.5 1.0 CE1 B:HIS96 3.5 10.2 1.0 OE2 B:GLU93 3.6 24.7 1.0 OE1 B:GLU195 3.6 10.3 1.0 CB B:HIS96 3.7 10.2 1.0 CG2 B:ILE191 3.7 10.6 1.0 CD B:GLU93 3.8 18.4 1.0 CE2 B:PHE165 3.8 9.2 1.0 CE1 B:PHE165 4.2 9.5 1.0 CB B:ASP62 4.4 13.4 1.0 NE2 B:HIS96 4.6 9.9 1.0 CD2 B:HIS96 4.6 10.4 1.0 CD2 B:PHE165 4.8 9.3 1.0 CA B:GLU93 4.8 12.4 1.0 CB B:GLU195 4.9 9.8 1.0 OE2 B:GLU161 5.0 6.5 1.0 O B:ILE191 5.0 9.6 1.0 CD1 B:PHE165 5.0 9.2 1.0

M.Hammerstad, H.Hersleth, A.B.Tomter, A.K.Rohr, K.K.Andersson. Crystal Structure of Bacillus Cereus Class Ib Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi. Acs Chem.Biol. V. 9 526 2014.
ISSN: ISSN 1554-8929
PubMed: 24295378
DOI: 10.1021/CB400757H