Iron in PDB 4bmt: Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus

All present enzymatic activity of Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus:
1.17.4.1;

The structure of Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus, PDB code: 4bmt 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)	47.11 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.030, 49.290, 98.510, 90.00, 107.16, 90.00
R / Rfree (%)	20.947 / 26.04

The binding sites of Iron atom in the Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus (pdb code 4bmt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus, PDB code: 4bmt:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus


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 Di-Iron Nrdf From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1323 b:43.0 occ:1.00 OD1 A:ASP62 1.9 14.7 1.0 O A:HOH2015 1.9 21.9 1.0 OE1 A:GLU93 2.0 13.9 1.0 ND1 A:HIS96 2.2 13.3 1.0 OE2 A:GLU195 2.5 20.5 1.0 CG A:ASP62 2.8 13.4 1.0 O A:HOH2016 3.0 20.0 1.0 OD2 A:ASP62 3.0 14.1 1.0 CE1 A:HIS96 3.1 13.2 1.0 CD A:GLU93 3.1 12.5 1.0 CG A:HIS96 3.3 13.4 1.0 CD A:GLU195 3.4 19.5 1.0 CB A:HIS96 3.6 12.5 1.0 OE2 A:GLU93 3.8 12.6 1.0 FE A:FE21324 3.8 26.7 1.0 CG A:GLU195 4.0 16.9 1.0 CA A:GLU93 4.0 12.0 1.0 CB A:ASP62 4.1 13.0 1.0 CZ A:PHE165 4.2 15.7 1.0 NE2 A:HIS96 4.2 13.7 1.0 CG A:GLU93 4.3 12.6 1.0 CB A:GLU93 4.3 12.3 1.0 CD2 A:HIS96 4.4 13.8 1.0 OE1 A:GLU195 4.4 25.4 1.0 O A:GLU93 4.6 12.7 1.0 CG2 A:ILE191 4.6 10.8 1.0 CE2 A:PHE165 4.6 16.6 1.0 CA A:ASP62 4.7 13.1 1.0 C A:GLU93 4.8 12.4 1.0 N A:GLU93 4.9 10.8 1.0 CE1 A:PHE165 4.9 14.6 1.0 OE1 A:GLU161 5.0 32.5 1.0 O A:MET92 5.0 9.7 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus


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 Di-Iron Nrdf From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1324 b:26.7 occ:1.00 OE1 A:GLU195 2.0 25.4 1.0 OE2 A:GLU161 2.1 27.3 1.0 OE2 A:GLU93 2.1 12.6 1.0 OE2 A:GLU195 2.2 20.5 1.0 ND1 A:HIS198 2.3 7.6 1.0 OE1 A:GLU161 2.3 32.5 1.0 CD A:GLU195 2.4 19.5 1.0 CD A:GLU161 2.4 25.6 1.0 O A:HOH2016 2.8 20.0 1.0 CD A:GLU93 2.9 12.5 1.0 OE1 A:GLU93 3.0 13.9 1.0 CE1 A:HIS198 3.2 7.1 1.0 CG A:HIS198 3.3 8.3 1.0 CB A:HIS198 3.6 8.6 1.0 FE A:FE21323 3.8 43.0 1.0 CG A:GLU161 3.9 24.0 1.0 CG A:GLU195 3.9 16.9 1.0 CG A:GLU93 4.3 12.6 1.0 CG A:GLN65 4.4 17.6 1.0 NE2 A:HIS198 4.4 7.4 1.0 O A:HOH2015 4.4 21.9 1.0 CD2 A:HIS198 4.4 7.9 1.0 CB A:GLU161 4.5 19.7 1.0 CA A:GLU195 4.5 14.4 1.0 CB A:GLU195 4.6 15.0 1.0 NE2 A:GLN65 4.7 22.3 1.0 CE2 A:PHE165 4.9 16.6 1.0 OD1 A:ASP62 4.9 14.7 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1323 b:46.5 occ:1.00 OD1 B:ASP62 2.0 23.6 1.0 OE1 B:GLU93 2.1 24.2 1.0 O B:HOH2010 2.1 18.7 1.0 OE2 B:GLU195 2.2 18.1 1.0 ND1 B:HIS96 2.5 14.4 1.0 CG B:ASP62 2.9 19.9 1.0 O B:HOH2011 3.0 21.0 1.0 CD B:GLU195 3.1 18.1 1.0 CD B:GLU93 3.2 21.9 1.0 CE1 B:HIS96 3.2 14.7 1.0 OD2 B:ASP62 3.3 24.5 1.0 CG B:HIS96 3.6 14.2 1.0 FE B:FE21324 3.7 33.7 1.0 CG B:GLU195 3.8 16.9 1.0 OE2 B:GLU93 3.8 29.2 1.0 CB B:HIS96 3.9 14.9 1.0 CZ B:PHE165 4.0 28.2 1.0 OE1 B:GLU195 4.0 19.5 1.0 CB B:ASP62 4.2 18.3 1.0 CE2 B:PHE165 4.3 27.8 1.0 CA B:GLU93 4.3 13.9 1.0 CG B:GLU93 4.4 18.1 1.0 NE2 B:HIS96 4.5 15.6 1.0 CB B:GLU93 4.5 15.2 1.0 CG2 B:ILE191 4.6 14.9 1.0 CD2 B:HIS96 4.6 16.1 1.0 CE1 B:PHE165 4.7 25.3 1.0 O B:GLU93 4.8 14.5 1.0 CA B:ASP62 4.9 16.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Ribonucleotide Reductase Di-Iron Nrdf From Bacillus Cereus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1324 b:33.7 occ:1.00 OE1 B:GLU195 2.1 19.5 1.0 OE2 B:GLU93 2.1 29.2 1.0 OE2 B:GLU195 2.3 18.1 1.0 ND1 B:HIS198 2.3 10.3 1.0 OE2 B:GLU161 2.3 32.7 1.0 CD B:GLU195 2.5 18.1 1.0 O B:HOH2011 2.8 21.0 1.0 CD B:GLU93 2.9 21.9 1.0 OE1 B:GLU93 3.1 24.2 1.0 CE1 B:HIS198 3.2 8.8 1.0 CG B:HIS198 3.3 10.2 1.0 CD B:GLU161 3.4 29.8 1.0 CB B:HIS198 3.6 10.4 1.0 FE B:FE21323 3.7 46.5 1.0 CG B:GLU161 4.0 26.5 1.0 CG B:GLU195 4.0 16.9 1.0 CG B:GLU93 4.3 18.1 1.0 CE B:MET70 4.3 23.3 1.0 CG B:GLN65 4.3 18.7 1.0 NE2 B:HIS198 4.4 8.4 1.0 CD2 B:HIS198 4.4 9.1 1.0 CB B:GLU161 4.5 22.0 1.0 OE1 B:GLU161 4.5 33.9 1.0 NE2 B:GLN65 4.6 22.5 1.0 CA B:GLU195 4.6 16.4 1.0 CB B:GLU195 4.7 16.8 1.0 O B:HOH2010 4.8 18.7 1.0 CE2 B:PHE165 4.9 27.8 1.0 OD1 B:ASP62 4.9 23.6 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