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Iron in PDB 2bq1: Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium

Enzymatic activity of Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium

All present enzymatic activity of Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium:
1.17.4.1;

Protein crystallography data

The structure of Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium, PDB code: 2bq1 was solved by M.Uppsten, M.Farnegardh, V.Domkin, U.Uhlin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 182.57 / 4.0
Space group P 41 3 2
Cell size a, b, c (Å), α, β, γ (°) 270.372, 270.372, 270.372, 90.00, 90.00, 90.00
R / Rfree (%) 26.2 / 31

Other elements in 2bq1:

The structure of Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium (pdb code 2bq1). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium, PDB code: 2bq1:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 2bq1

Go back to Iron Binding Sites List in 2bq1
Iron binding site 1 out of 4 in the Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Fe1320

b:47.0
occ:0.92
OD1 I:ASP67 1.8 59.4 1.0
ND1 I:HIS101 2.4 57.5 1.0
OE1 I:GLU192 2.5 60.5 1.0
OE2 I:GLU192 2.5 60.3 1.0
CD I:GLU192 2.6 60.5 1.0
OE1 I:GLU98 2.7 57.6 1.0
CG I:ASP67 3.0 59.4 1.0
CE1 I:HIS101 3.2 57.0 1.0
CG I:HIS101 3.4 58.0 1.0
CD I:GLU98 3.4 57.8 1.0
OD2 I:ASP67 3.5 59.3 1.0
CZ I:PHE162 3.5 59.9 1.0
CE1 I:PHE162 3.7 59.9 1.0
FE I:FE1321 3.7 41.4 1.0
OE2 I:GLU98 3.7 57.6 1.0
CB I:HIS101 3.8 58.5 1.0
CG I:GLU192 3.8 60.4 1.0
CB I:ASP67 4.1 59.5 1.0
CE2 I:PHE162 4.3 59.7 1.0
CA I:GLU98 4.3 58.0 1.0
NE2 I:HIS101 4.3 57.2 1.0
CA I:ASP67 4.3 59.5 1.0
CD2 I:HIS101 4.4 57.5 1.0
CG2 I:ILE188 4.4 56.7 1.0
CD1 I:PHE162 4.5 59.1 1.0
CB I:GLU98 4.5 58.0 1.0
CG I:GLU98 4.5 57.8 1.0
OE1 I:GLU158 4.7 53.8 1.0
O I:GLU98 4.8 57.8 1.0

Iron binding site 2 out of 4 in 2bq1

Go back to Iron Binding Sites List in 2bq1
Iron binding site 2 out of 4 in the Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Fe1321

b:41.4
occ:1.00
OE1 I:GLU158 2.0 53.8 1.0
OE1 I:GLU192 2.0 60.5 1.0
OE2 I:GLU98 2.1 57.6 1.0
OE2 I:GLU158 2.1 53.8 1.0
ND1 I:HIS195 2.2 62.4 1.0
CD I:GLU158 2.3 54.3 1.0
CE1 I:HIS195 3.0 62.3 1.0
CD I:GLU98 3.0 57.8 1.0
CG I:HIS195 3.2 62.0 1.0
CD I:GLU192 3.2 60.5 1.0
OE1 I:GLU98 3.3 57.6 1.0
CB I:HIS195 3.6 61.8 1.0
FE I:FE1320 3.7 47.0 0.9
CG I:GLU158 3.8 54.6 1.0
CG I:GLU192 3.9 60.4 1.0
NE2 I:HIS195 4.1 62.5 1.0
CB I:GLU192 4.2 60.1 1.0
CA I:GLU192 4.2 60.1 1.0
OE2 I:GLU192 4.2 60.3 1.0
CD2 I:HIS195 4.2 62.2 1.0
CE2 I:PHE162 4.4 59.7 1.0
CG I:GLU98 4.4 57.8 1.0
NE2 I:GLN70 4.4 63.6 1.0
CZ I:PHE162 4.5 59.9 1.0
CB I:GLU158 4.6 54.5 1.0
CG2 I:ILE94 4.7 60.7 1.0
CE1 I:HIS101 4.7 57.0 1.0
ND1 I:HIS101 4.9 57.5 1.0
N I:GLU192 5.0 60.1 1.0

Iron binding site 3 out of 4 in 2bq1

Go back to Iron Binding Sites List in 2bq1
Iron binding site 3 out of 4 in the Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Fe1287

b:59.4
occ:0.77
OD1 J:ASP67 2.0 77.5 1.0
ND1 J:HIS101 2.3 69.7 1.0
OE1 J:GLU98 2.7 70.2 1.0
OE2 J:GLU192 2.7 76.5 1.0
OE1 J:GLU192 2.7 76.4 1.0
CD J:GLU98 2.9 70.3 1.0
CD J:GLU192 3.1 76.7 1.0
CE1 J:HIS101 3.1 69.3 1.0
CG J:HIS101 3.1 70.2 1.0
CG J:ASP67 3.2 77.4 1.0
CG J:GLU98 3.4 69.9 1.0
OE2 J:GLU98 3.4 70.7 1.0
CB J:HIS101 3.5 70.8 1.0
FE J:FE1288 3.6 68.7 1.0
CA J:GLU98 3.9 69.8 1.0
CB J:GLU98 3.9 69.8 1.0
OD2 J:ASP67 4.0 77.4 1.0
CZ J:PHE162 4.0 95.5 1.0
NE2 J:HIS101 4.1 69.4 1.0
CD2 J:HIS101 4.1 69.6 1.0
CB J:ASP67 4.1 77.5 1.0
CE2 J:PHE162 4.6 95.5 1.0
CG J:GLU192 4.6 77.2 1.0
O J:GLU98 4.6 69.9 1.0
CE1 J:PHE162 4.6 95.5 1.0
ND1 J:HIS195 4.7 78.8 1.0
CA J:ASP67 4.7 77.5 1.0
C J:GLU98 4.8 69.8 1.0
N J:GLU98 4.8 69.8 1.0
CE1 J:HIS195 4.8 78.9 1.0

Iron binding site 4 out of 4 in 2bq1

Go back to Iron Binding Sites List in 2bq1
Iron binding site 4 out of 4 in the Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ribonucleotide Reductase Class 1B Holocomplex R1E,R2F From Salmonella Typhimurium within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Fe1288

b:68.7
occ:1.00
OE2 J:GLU98 1.8 70.7 1.0
OE1 J:GLU158 2.4 86.9 1.0
ND1 J:HIS195 2.5 78.8 1.0
CD J:GLU98 2.8 70.3 1.0
OE2 J:GLU158 2.8 87.1 1.0
CD J:GLU158 2.9 87.2 1.0
OE1 J:GLU192 3.1 76.4 1.0
CG J:HIS195 3.4 77.7 1.0
CB J:HIS195 3.4 76.7 1.0
CE1 J:HIS195 3.6 78.9 1.0
FE J:FE1287 3.6 59.4 0.8
OE1 J:GLU98 3.6 70.2 1.0
CG J:GLU98 3.6 69.9 1.0
NE2 J:GLN70 3.9 77.6 1.0
CD J:GLU192 3.9 76.7 1.0
CG J:GLU158 4.2 87.6 1.0
CD J:GLN70 4.2 77.8 1.0
CA J:GLU192 4.2 77.7 1.0
CB J:GLU192 4.3 77.6 1.0
CE2 J:PHE162 4.3 95.5 1.0
CG2 J:ILE94 4.4 70.8 1.0
OE2 J:GLU192 4.5 76.5 1.0
CD2 J:HIS195 4.5 78.5 1.0
CG J:GLN70 4.6 77.8 1.0
NE2 J:HIS195 4.6 79.0 1.0
OE1 J:GLN70 4.7 77.6 1.0
CG J:GLU192 4.7 77.2 1.0
CZ J:PHE162 4.8 95.5 1.0
N J:GLU192 4.9 78.0 1.0
CA J:HIS195 5.0 76.7 1.0
ND1 J:HIS101 5.0 69.7 1.0
CE1 J:HIS101 5.0 69.3 1.0

Reference:

M.Uppsten, M.Farnegardh, V.Domkin, U.Uhlin. The First Holocomplex Structure of Ribonucleotide Reductase Gives New Insight Into Its Mechanism of Action J.Mol.Biol. V. 359 365 2006.
ISSN: ISSN 0022-2836
PubMed: 16631785
DOI: 10.1016/J.JMB.2006.03.035
Page generated: Sat Aug 3 19:46:16 2024

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