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Iron in PDB 4bmp: Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution)

Enzymatic activity of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution)

All present enzymatic activity of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution):
1.17.4.1;

Protein crystallography data

The structure of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution), PDB code: 4bmp was solved by M.Hammerstad, H.-P.Hersleth, 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) 62.59 / 2.10
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 59.330, 125.030, 142.561, 90.00, 90.00, 90.00
R / Rfree (%) 17.695 / 23.342

Other elements in 4bmp:

The structure of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution) (pdb code 4bmp). 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 Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution), PDB code: 4bmp:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4bmp

Go back to Iron Binding Sites List in 4bmp
Iron binding site 1 out of 2 in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution)


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 Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1323

b:28.5
occ:0.90
 OD1 A:ASP62 1.9 27.8 1.0
OE2 A:GLU195 2.0 27.9 1.0
ND1 A:HIS96 2.1 15.0 1.0
OE1 A:GLU93 2.3 28.2 1.0
CG A:ASP62 2.7 24.9 1.0
CD A:GLU195 2.7 21.7 1.0
OE1 A:GLU195 2.8 18.9 1.0
OD2 A:ASP62 2.8 27.5 1.0
CD A:GLU93 3.0 25.7 1.0
CE1 A:HIS96 3.0 15.6 1.0
CG A:HIS96 3.2 15.2 1.0
OE2 A:GLU93 3.3 33.9 1.0
CB A:HIS96 3.6 15.6 1.0
CA A:GLU93 3.8 19.7 1.0
O A:HOH2029 3.8 42.3 1.0
CZ A:PHE165 3.9 19.6 1.0
FE A:FE21324 3.9 28.2 0.9
CB A:ASP62 4.0 22.3 1.0
CG A:GLU195 4.2 20.0 1.0
NE2 A:HIS96 4.2 15.4 1.0
CB A:GLU93 4.2 19.1 1.0
CG A:GLU93 4.2 24.0 1.0
CD2 A:HIS96 4.3 13.1 1.0
CE2 A:PHE165 4.4 22.0 1.0
O A:GLU93 4.5 21.8 1.0
CG2 A:ILE191 4.6 17.5 1.0
C A:GLU93 4.6 21.7 1.0
N A:GLU93 4.7 16.0 1.0
CE1 A:PHE165 4.7 21.5 1.0
CA A:ASP62 4.7 20.8 1.0
O A:MET92 4.7 17.6 0.5
O A:MET92 4.7 16.7 0.5
C A:MET92 5.0 16.1 0.5
C A:MET92 5.0 16.8 0.5
OE1 A:GLU161 5.0 47.1 1.0

Iron binding site 2 out of 2 in 4bmp

Go back to Iron Binding Sites List in 4bmp
Iron binding site 2 out of 2 in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution)


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 Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (2.1 A Resolution) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1324

b:28.2
occ:0.90
 OE1 A:GLU161 2.1 47.1 1.0
OE1 A:GLU195 2.1 18.9 1.0
ND1 A:HIS198 2.1 14.6 1.0
OE2 A:GLU93 2.1 33.9 1.0
OE2 A:GLU161 2.2 43.8 1.0
CD A:GLU161 2.4 37.1 1.0
CD A:GLU93 2.7 25.7 1.0
OE1 A:GLU93 2.9 28.2 1.0
CE1 A:HIS198 3.1 15.0 1.0
CG A:HIS198 3.1 14.8 1.0
CD A:GLU195 3.3 21.7 1.0
CB A:HIS198 3.5 14.1 1.0
FE A:FE21323 3.9 28.5 0.9
CG A:GLU161 3.9 30.5 1.0
OE2 A:GLU195 4.0 27.9 1.0
CA A:GLU195 4.0 17.9 1.0
CG A:GLU93 4.1 24.0 1.0
NE2 A:HIS198 4.2 15.0 1.0
CD2 A:HIS198 4.2 15.1 1.0
CB A:GLU195 4.3 17.3 1.0
CG A:GLU195 4.4 20.0 1.0
CE2 A:PHE165 4.4 22.0 1.0
CB A:GLU161 4.6 25.1 1.0
CG A:GLN65 4.7 27.6 1.0
N A:GLU195 4.7 16.8 1.0
CE A:MET70 4.7 33.2 1.0
OD1 A:ASP62 4.8 27.8 1.0
O A:GLU195 4.9 21.6 1.0
CZ A:PHE165 4.9 19.6 1.0
O A:ASP194 4.9 22.9 1.0
CE1 A:HIS96 4.9 15.6 1.0
CA A:HIS198 5.0 14.7 1.0

Reference:

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
Page generated: Mon Aug 5 00:08:15 2024

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