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Iron in PDB 4bmo: Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution)

Enzymatic activity of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution)

All present enzymatic activity of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 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 (1.8 A Resolution), PDB code: 4bmo 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) 53.75 / 1.81
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 59.490, 124.670, 141.260, 90.00, 90.00, 90.00
R / Rfree (%) 16.677 / 20.942

Other elements in 4bmo:

The structure of Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 A Resolution) also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

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 (1.8 A Resolution) (pdb code 4bmo). 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 (1.8 A Resolution), PDB code: 4bmo:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4bmo

Go back to Iron Binding Sites List in 4bmo
Iron binding site 1 out of 2 in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 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 (1.8 A Resolution) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1323

b:34.7
occ:0.50
 OE2 A:GLU195 1.6 19.6 0.5
OD1 A:ASP62 1.8 23.1 1.0
OE2 A:GLU195 2.1 20.4 0.5
ND1 A:HIS96 2.3 24.5 1.0
OE1 A:GLU93 2.4 31.5 0.5
CD A:GLU195 2.5 17.8 0.5
CG A:ASP62 2.7 25.8 1.0
OE1 A:GLU93 2.9 17.9 0.5
OE1 A:GLU195 2.9 16.7 0.5
OD2 A:ASP62 2.9 25.0 1.0
OE2 A:GLU93 3.1 16.2 0.5
CD A:GLU93 3.1 18.0 0.5
CE1 A:HIS96 3.2 18.6 1.0
CD A:GLU195 3.2 21.3 0.5
CG A:HIS96 3.3 19.2 1.0
CD A:GLU93 3.4 29.2 0.5
CB A:HIS96 3.5 19.8 1.0
CG A:GLU195 3.8 20.0 0.5
CZ A:PHE165 3.9 23.2 1.0
CG A:GLU195 3.9 17.7 0.5
CA A:GLU93 3.9 22.9 0.5
O A:HOH2054 3.9 44.8 1.0
FE A:FE21324 3.9 34.8 0.5
CA A:GLU93 4.0 18.9 0.5
CB A:ASP62 4.1 22.6 1.0
OE2 A:GLU93 4.1 31.6 0.5
OE1 A:GLU195 4.2 24.1 0.5
CG2 A:ILE191 4.3 21.8 1.0
CE2 A:PHE165 4.3 24.4 1.0
CB A:GLU93 4.3 24.2 0.5
NE2 A:HIS96 4.3 21.8 1.0
CG A:GLU93 4.4 17.1 0.5
CD2 A:HIS96 4.4 17.6 1.0
CG A:GLU93 4.4 25.6 0.5
CB A:GLU93 4.5 17.9 0.5
O A:GLU93 4.5 17.9 0.5
O A:GLU93 4.6 15.5 0.5
CE1 A:PHE165 4.6 24.6 1.0
CA A:ASP62 4.7 24.2 1.0
C A:GLU93 4.7 21.4 0.5
C A:GLU93 4.8 18.7 0.5
O A:MET92 4.8 21.4 1.0
N A:GLU93 4.8 21.8 0.5
OE1 A:GLU161 4.8 17.6 0.3
N A:GLU93 4.8 19.5 0.5
CA A:HIS96 5.0 21.3 1.0

Iron binding site 2 out of 2 in 4bmo

Go back to Iron Binding Sites List in 4bmo
Iron binding site 2 out of 2 in the Crystal Structure of Bacillus Cereus Ribonucleotide Reductase Di-Iron Nrdf in Complex with Nrdi (1.8 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 (1.8 A Resolution) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1324

b:34.8
occ:0.50
 OE2 A:GLU161 1.7 15.8 0.3
OE2 A:GLU93 1.9 31.6 0.5
OE1 A:GLU195 2.0 16.7 0.5
OE1 A:GLU195 2.0 24.1 0.5
OE1 A:GLU161 2.1 19.2 0.3
OE2 A:GLU161 2.2 17.4 0.3
OE2 A:GLU195 2.3 20.4 0.5
CD A:GLU161 2.3 17.1 0.3
ND1 A:HIS198 2.3 19.7 1.0
OE1 A:GLU93 2.4 17.9 0.5
CD A:GLU195 2.4 21.3 0.5
CD A:GLU161 2.5 17.9 0.3
OE1 A:GLU161 2.5 17.6 0.3
CD A:GLU93 2.6 29.2 0.5
OE1 A:GLU93 2.6 31.5 0.5
OE2 A:GLU93 2.6 16.2 0.5
CD A:GLU93 2.6 18.0 0.5
CD A:GLU195 3.1 17.8 0.5
CE1 A:HIS198 3.3 20.6 1.0
CG A:HIS198 3.3 16.2 1.0
OE2 A:GLU161 3.5 20.7 0.3
CB A:HIS198 3.5 18.2 1.0
CG A:GLU161 3.7 18.1 0.3
CG A:GLU161 3.8 20.6 0.3
OE2 A:GLU195 3.8 19.6 0.5
CG A:GLU93 3.9 17.1 0.5
CG A:GLU195 3.9 20.0 0.5
FE A:FE21323 3.9 34.7 0.5
CG A:GLU161 4.0 18.0 0.3
CG A:GLU93 4.0 25.6 0.5
CA A:GLU195 4.0 17.5 0.5
CA A:GLU195 4.1 19.8 0.5
CD A:GLU161 4.1 21.4 0.3
CB A:GLU161 4.2 20.9 0.3
CB A:GLU195 4.2 17.5 0.5
CG A:GLU195 4.2 17.7 0.5
CB A:GLU161 4.2 19.0 0.3
NE2 A:HIS198 4.4 19.8 1.0
CD2 A:HIS198 4.4 19.6 1.0
CB A:GLU195 4.4 20.2 0.5
CE2 A:PHE165 4.5 24.4 1.0
CG A:GLN65 4.7 26.7 1.0
CB A:GLU161 4.7 19.0 0.3
O A:GLU195 4.8 21.0 0.5
O A:GLU195 4.8 20.8 0.5
OD1 A:ASP62 4.8 23.1 1.0
N A:GLU195 4.8 17.2 0.5
N A:GLU195 4.8 21.1 0.5
O A:ASP194 4.9 23.0 0.5
CZ A:PHE165 5.0 23.2 1.0
C A:GLU195 5.0 19.2 0.5
C A:GLU195 5.0 20.7 0.5
CE A:MET70 5.0 21.6 0.5

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 00:08:05 2024

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