Iron in PDB 1yfd: Crystal Structure of the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli
Enzymatic activity of Crystal Structure of the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli
All present enzymatic activity of Crystal Structure of the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli:
1.17.4.1;
Protein crystallography data
The structure of Crystal Structure of the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli, PDB code: 1yfd
was solved by
M.Kolberg,
D.T.Logan,
G.Bleifuss,
S.Poetsch,
B.M.Sjoeberg,
A.Graeslund,
W.Lubitz,
G.Lassmann,
F.Lendzian,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.46 /
1.90
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
74.040,
84.740,
115.030,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
17.3 /
20.6
|
Other elements in 1yfd:
The structure of Crystal Structure of the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli
(pdb code 1yfd). 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 the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli, PDB code: 1yfd:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 1yfd
Go back to
Iron Binding Sites List in 1yfd
Iron binding site 1 out
of 4 in the Crystal Structure of the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli
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 the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:12.7
occ:1.00
|
FE1
|
A:FEO501
|
0.0
|
12.7
|
1.0
|
O
|
A:FEO501
|
1.8
|
13.3
|
1.0
|
OD1
|
A:ASP84
|
2.0
|
13.9
|
1.0
|
OE1
|
A:GLU115
|
2.1
|
15.3
|
1.0
|
ND1
|
A:HIS118
|
2.1
|
7.6
|
1.0
|
O
|
A:HOH610
|
2.2
|
12.8
|
1.0
|
O
|
A:HOH612
|
2.7
|
32.9
|
1.0
|
CE1
|
A:HIS118
|
3.0
|
10.0
|
1.0
|
CD
|
A:GLU115
|
3.1
|
13.4
|
1.0
|
CG
|
A:ASP84
|
3.1
|
14.4
|
1.0
|
CG
|
A:HIS118
|
3.2
|
8.2
|
1.0
|
O
|
A:HOH611
|
3.5
|
15.0
|
1.0
|
FE2
|
A:FEO501
|
3.5
|
12.4
|
1.0
|
OE2
|
A:GLU115
|
3.6
|
10.9
|
1.0
|
OD2
|
A:ASP84
|
3.6
|
16.4
|
1.0
|
CB
|
A:HIS118
|
3.6
|
8.8
|
1.0
|
OE2
|
A:GLU238
|
3.9
|
24.6
|
1.0
|
NE2
|
A:HIS118
|
4.1
|
9.6
|
1.0
|
CD2
|
A:HIS118
|
4.3
|
7.7
|
1.0
|
CB
|
A:ASP84
|
4.4
|
12.0
|
1.0
|
CG
|
A:GLU115
|
4.4
|
10.9
|
1.0
|
CE2
|
A:PHE208
|
4.4
|
21.9
|
1.0
|
CG2
|
A:ILE234
|
4.4
|
12.7
|
1.0
|
CA
|
A:GLU115
|
4.5
|
8.4
|
1.0
|
OE1
|
A:GLU238
|
4.5
|
17.1
|
1.0
|
CD
|
A:GLU238
|
4.5
|
19.9
|
1.0
|
CZ
|
A:PHE208
|
4.6
|
22.2
|
1.0
|
CB
|
A:GLU115
|
4.6
|
9.4
|
1.0
|
CE1
|
A:HIS241
|
4.7
|
7.5
|
1.0
|
ND1
|
A:HIS241
|
4.8
|
8.2
|
1.0
|
CA
|
A:ASP84
|
4.9
|
11.9
|
1.0
|
CD2
|
A:PHE208
|
5.0
|
23.6
|
1.0
|
|
Iron binding site 2 out
of 4 in 1yfd
Go back to
Iron Binding Sites List in 1yfd
Iron binding site 2 out
of 4 in the Crystal Structure of the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli
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 the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe501
b:12.4
occ:1.00
|
FE2
|
A:FEO501
|
0.0
|
12.4
|
1.0
|
OE1
|
A:GLU238
|
2.0
|
17.1
|
1.0
|
OE2
|
A:GLU115
|
2.0
|
10.9
|
1.0
|
OE1
|
A:GLU204
|
2.1
|
16.2
|
1.0
|
O
|
A:FEO501
|
2.2
|
13.3
|
1.0
|
O
|
A:HOH611
|
2.2
|
15.0
|
1.0
|
ND1
|
A:HIS241
|
2.3
|
8.2
|
1.0
|
CD
|
A:GLU115
|
3.0
|
13.4
|
1.0
|
CD
|
A:GLU238
|
3.0
|
19.9
|
1.0
|
CD
|
A:GLU204
|
3.1
|
14.4
|
1.0
|
CE1
|
A:HIS241
|
3.2
|
7.5
|
1.0
|
OE1
|
A:GLU115
|
3.3
|
15.3
|
1.0
|
OE2
|
A:GLU238
|
3.4
|
24.6
|
1.0
|
CG
|
A:HIS241
|
3.4
|
6.8
|
1.0
|
FE1
|
A:FEO501
|
3.5
|
12.7
|
1.0
|
O
|
A:HOH612
|
3.7
|
32.9
|
1.0
|
CB
|
A:HIS241
|
3.8
|
7.8
|
1.0
|
CG
|
A:GLU204
|
3.8
|
15.3
|
1.0
|
NE1
|
A:TRP111
|
4.0
|
8.4
|
1.0
|
OE2
|
A:GLU204
|
4.1
|
16.4
|
1.0
|
CG
|
A:GLU238
|
4.3
|
14.3
|
1.0
|
CG
|
A:GLU115
|
4.4
|
10.9
|
1.0
|
NE2
|
A:HIS241
|
4.4
|
6.6
|
1.0
|
CB
|
A:GLU204
|
4.5
|
13.6
|
1.0
|
O
|
A:HOH610
|
4.5
|
12.8
|
1.0
|
CD2
|
A:HIS241
|
4.5
|
7.3
|
1.0
|
CA
|
A:GLU238
|
4.6
|
11.4
|
1.0
|
CD1
|
A:TRP111
|
4.6
|
8.2
|
1.0
|
CE1
|
A:HIS118
|
4.7
|
10.0
|
1.0
|
CB
|
A:GLU238
|
4.8
|
12.4
|
1.0
|
ND1
|
A:HIS118
|
4.8
|
7.6
|
1.0
|
OE1
|
A:GLN87
|
4.9
|
15.1
|
1.0
|
|
Iron binding site 3 out
of 4 in 1yfd
Go back to
Iron Binding Sites List in 1yfd
Iron binding site 3 out
of 4 in the Crystal Structure of the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli
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 the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe502
b:12.6
occ:1.00
|
FE1
|
B:FEO502
|
0.0
|
12.6
|
1.0
|
OD1
|
B:ASP84
|
2.0
|
11.9
|
1.0
|
OE1
|
B:GLU115
|
2.1
|
10.7
|
1.0
|
O
|
B:FEO502
|
2.1
|
10.1
|
1.0
|
O
|
B:HOH614
|
2.1
|
26.3
|
1.0
|
ND1
|
B:HIS118
|
2.2
|
7.7
|
1.0
|
O
|
B:HOH616
|
2.5
|
26.7
|
1.0
|
CE1
|
B:HIS118
|
3.0
|
9.2
|
1.0
|
CG
|
B:ASP84
|
3.1
|
13.5
|
1.0
|
CD
|
B:GLU115
|
3.2
|
7.6
|
1.0
|
CG
|
B:HIS118
|
3.3
|
7.8
|
1.0
|
O
|
B:HOH615
|
3.3
|
20.7
|
1.0
|
FE2
|
B:FEO502
|
3.4
|
11.4
|
1.0
|
OD2
|
B:ASP84
|
3.5
|
15.9
|
1.0
|
OE2
|
B:GLU115
|
3.6
|
9.7
|
1.0
|
OE1
|
B:GLU238
|
3.8
|
22.7
|
1.0
|
CB
|
B:HIS118
|
3.8
|
8.0
|
1.0
|
NE2
|
B:HIS118
|
4.2
|
8.1
|
1.0
|
CD2
|
B:HIS118
|
4.4
|
9.2
|
1.0
|
CB
|
B:ASP84
|
4.4
|
10.8
|
1.0
|
CE2
|
B:PHE208
|
4.4
|
20.3
|
1.0
|
CG
|
B:GLU115
|
4.4
|
6.8
|
1.0
|
OE2
|
B:GLU238
|
4.5
|
14.5
|
1.0
|
CG2
|
B:ILE234
|
4.5
|
9.6
|
1.0
|
CD
|
B:GLU238
|
4.5
|
17.4
|
1.0
|
CA
|
B:GLU115
|
4.5
|
7.5
|
1.0
|
CE1
|
B:HIS241
|
4.6
|
8.7
|
1.0
|
CB
|
B:GLU115
|
4.7
|
7.6
|
1.0
|
CZ
|
B:PHE208
|
4.7
|
20.3
|
1.0
|
ND1
|
B:HIS241
|
4.8
|
7.4
|
1.0
|
CA
|
B:ASP84
|
4.8
|
10.1
|
1.0
|
CD2
|
B:PHE208
|
4.9
|
21.3
|
1.0
|
|
Iron binding site 4 out
of 4 in 1yfd
Go back to
Iron Binding Sites List in 1yfd
Iron binding site 4 out
of 4 in the Crystal Structure of the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli
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 the Y122H Mutant of Ribonucleotide Reductase R2 Protein From E. Coli within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe502
b:11.4
occ:1.00
|
FE2
|
B:FEO502
|
0.0
|
11.4
|
1.0
|
O
|
B:FEO502
|
1.9
|
10.1
|
1.0
|
OE1
|
B:GLU204
|
1.9
|
13.3
|
1.0
|
OE2
|
B:GLU238
|
2.1
|
14.5
|
1.0
|
OE2
|
B:GLU115
|
2.1
|
9.7
|
1.0
|
ND1
|
B:HIS241
|
2.2
|
7.4
|
1.0
|
O
|
B:HOH615
|
2.4
|
20.7
|
1.0
|
CD
|
B:GLU115
|
3.0
|
7.6
|
1.0
|
CD
|
B:GLU238
|
3.0
|
17.4
|
1.0
|
CD
|
B:GLU204
|
3.1
|
16.2
|
1.0
|
CE1
|
B:HIS241
|
3.1
|
8.7
|
1.0
|
OE1
|
B:GLU115
|
3.3
|
10.7
|
1.0
|
CG
|
B:HIS241
|
3.4
|
7.8
|
1.0
|
OE1
|
B:GLU238
|
3.4
|
22.7
|
1.0
|
FE1
|
B:FEO502
|
3.4
|
12.6
|
1.0
|
CG
|
B:GLU204
|
3.8
|
16.4
|
1.0
|
CB
|
B:HIS241
|
3.8
|
9.1
|
1.0
|
O
|
B:HOH616
|
3.8
|
26.7
|
1.0
|
OE2
|
B:GLU204
|
4.1
|
19.7
|
1.0
|
NE1
|
B:TRP111
|
4.1
|
6.3
|
1.0
|
NE2
|
B:HIS241
|
4.2
|
6.6
|
1.0
|
O
|
B:HOH614
|
4.3
|
26.3
|
1.0
|
CG
|
B:GLU238
|
4.4
|
14.6
|
1.0
|
CG
|
B:GLU115
|
4.4
|
6.8
|
1.0
|
CD2
|
B:HIS241
|
4.4
|
8.2
|
1.0
|
CB
|
B:GLU204
|
4.4
|
14.6
|
1.0
|
CA
|
B:GLU238
|
4.6
|
11.0
|
1.0
|
CD1
|
B:TRP111
|
4.6
|
5.7
|
1.0
|
CE1
|
B:HIS118
|
4.7
|
9.2
|
1.0
|
ND1
|
B:HIS118
|
4.8
|
7.7
|
1.0
|
OE1
|
B:GLN87
|
4.9
|
16.9
|
1.0
|
CB
|
B:GLU238
|
4.9
|
11.7
|
1.0
|
|
Reference:
M.Kolberg,
D.T.Logan,
G.Bleifuss,
S.Poetsch,
B.M.Sjoeberg,
A.Graeslund,
W.Lubitz,
G.Lassmann,
F.Lendzian.
A New Tyrosyl Radical on PHE208 As Ligand to the Diiron Center in Escherichia Coli Ribonucleotide Reductase, Mutant R2-Y122H. Combined X-Ray Diffraction and Epr/Endor Studies J.Biol.Chem. V. 280 11233 2005.
ISSN: ISSN 0021-9258
PubMed: 15634667
DOI: 10.1074/JBC.M414634200
Page generated: Sat Aug 3 17:44:08 2024
|