Iron in PDB 1r2f: Ribonucleotide Reductase R2F Protein From Salmonella Typhimurium
Enzymatic activity of Ribonucleotide Reductase R2F Protein From Salmonella Typhimurium
All present enzymatic activity of Ribonucleotide Reductase R2F Protein From Salmonella Typhimurium:
1.17.4.1;
Protein crystallography data
The structure of Ribonucleotide Reductase R2F Protein From Salmonella Typhimurium, PDB code: 1r2f
was solved by
H.Eklund,
M.Eriksson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.10
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
58.490,
71.740,
96.070,
90.00,
95.01,
90.00
|
R / Rfree (%)
|
22.6 /
24.7
|
Iron Binding Sites:
The binding sites of Iron atom in the Ribonucleotide Reductase R2F Protein From Salmonella Typhimurium
(pdb code 1r2f). 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 R2F Protein From Salmonella Typhimurium, PDB code: 1r2f:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 1r2f
Go back to
Iron Binding Sites List in 1r2f
Iron binding site 1 out
of 4 in the Ribonucleotide Reductase R2F Protein 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 R2F Protein From Salmonella Typhimurium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe400
b:32.8
occ:0.92
|
OE2
|
A:GLU192
|
2.0
|
27.0
|
1.0
|
OE1
|
A:GLU98
|
2.1
|
26.7
|
1.0
|
OD1
|
A:ASP67
|
2.3
|
29.8
|
1.0
|
ND1
|
A:HIS101
|
2.3
|
24.2
|
1.0
|
CD
|
A:GLU192
|
2.6
|
26.6
|
1.0
|
OE1
|
A:GLU192
|
2.7
|
26.6
|
1.0
|
O
|
A:HOH562
|
2.9
|
46.0
|
1.0
|
CD
|
A:GLU98
|
3.2
|
26.1
|
1.0
|
CE1
|
A:HIS101
|
3.3
|
24.3
|
1.0
|
CG
|
A:HIS101
|
3.3
|
24.2
|
1.0
|
CG
|
A:ASP67
|
3.4
|
29.5
|
1.0
|
CB
|
A:HIS101
|
3.6
|
24.1
|
1.0
|
FE
|
A:FE401
|
3.7
|
31.0
|
1.0
|
OE2
|
A:GLU98
|
3.8
|
26.5
|
1.0
|
CZ
|
A:PHE162
|
4.0
|
27.9
|
1.0
|
CG
|
A:GLU192
|
4.0
|
26.3
|
1.0
|
OD2
|
A:ASP67
|
4.1
|
29.9
|
1.0
|
O
|
A:HOH425
|
4.3
|
31.0
|
1.0
|
CA
|
A:GLU98
|
4.3
|
25.0
|
1.0
|
NE2
|
A:HIS101
|
4.4
|
24.3
|
1.0
|
CB
|
A:ASP67
|
4.4
|
29.1
|
1.0
|
CD2
|
A:HIS101
|
4.4
|
24.2
|
1.0
|
CG2
|
A:ILE188
|
4.4
|
25.2
|
1.0
|
CG
|
A:GLU98
|
4.5
|
25.8
|
1.0
|
CE1
|
A:PHE162
|
4.5
|
27.6
|
1.0
|
CE2
|
A:PHE162
|
4.6
|
28.0
|
1.0
|
CB
|
A:GLU98
|
4.6
|
25.3
|
1.0
|
OE1
|
A:GLU158
|
4.7
|
26.7
|
1.0
|
CA
|
A:ASP67
|
4.8
|
28.7
|
1.0
|
|
Iron binding site 2 out
of 4 in 1r2f
Go back to
Iron Binding Sites List in 1r2f
Iron binding site 2 out
of 4 in the Ribonucleotide Reductase R2F Protein 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 R2F Protein From Salmonella Typhimurium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe401
b:31.0
occ:1.00
|
OE2
|
A:GLU98
|
1.9
|
26.5
|
1.0
|
OE1
|
A:GLU158
|
1.9
|
26.7
|
1.0
|
OE1
|
A:GLU192
|
2.0
|
26.6
|
1.0
|
OE2
|
A:GLU158
|
2.2
|
26.5
|
1.0
|
ND1
|
A:HIS195
|
2.2
|
25.6
|
1.0
|
CD
|
A:GLU158
|
2.4
|
26.2
|
1.0
|
O
|
A:HOH562
|
2.5
|
46.0
|
1.0
|
CD
|
A:GLU98
|
2.9
|
26.1
|
1.0
|
OE1
|
A:GLU98
|
3.1
|
26.7
|
1.0
|
CE1
|
A:HIS195
|
3.2
|
25.6
|
1.0
|
CD
|
A:GLU192
|
3.2
|
26.6
|
1.0
|
CG
|
A:HIS195
|
3.2
|
25.9
|
1.0
|
CB
|
A:HIS195
|
3.6
|
25.7
|
1.0
|
FE
|
A:FE400
|
3.7
|
32.8
|
0.9
|
OE2
|
A:GLU192
|
3.8
|
27.0
|
1.0
|
CG
|
A:GLU158
|
3.9
|
26.0
|
1.0
|
CA
|
A:GLU192
|
4.0
|
25.5
|
1.0
|
CG
|
A:GLU98
|
4.3
|
25.8
|
1.0
|
CG
|
A:GLU192
|
4.3
|
26.3
|
1.0
|
NE2
|
A:HIS195
|
4.3
|
25.7
|
1.0
|
CB
|
A:GLU192
|
4.3
|
26.0
|
1.0
|
CD2
|
A:HIS195
|
4.4
|
25.7
|
1.0
|
CG
|
A:GLN70
|
4.6
|
32.2
|
1.0
|
N
|
A:GLU192
|
4.7
|
25.5
|
1.0
|
CB
|
A:GLU158
|
4.7
|
25.5
|
1.0
|
NE2
|
A:GLN70
|
4.7
|
32.7
|
1.0
|
CG2
|
A:ILE94
|
4.7
|
25.7
|
1.0
|
CE1
|
A:HIS101
|
4.8
|
24.3
|
1.0
|
ND1
|
A:HIS101
|
4.8
|
24.2
|
1.0
|
|
Iron binding site 3 out
of 4 in 1r2f
Go back to
Iron Binding Sites List in 1r2f
Iron binding site 3 out
of 4 in the Ribonucleotide Reductase R2F Protein 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 R2F Protein From Salmonella Typhimurium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe402
b:43.5
occ:0.77
|
OD1
|
B:ASP67
|
1.9
|
46.4
|
1.0
|
OE2
|
B:GLU192
|
2.1
|
39.6
|
1.0
|
ND1
|
B:HIS101
|
2.3
|
37.6
|
1.0
|
OE1
|
B:GLU98
|
2.3
|
35.1
|
1.0
|
CD
|
B:GLU192
|
2.7
|
39.5
|
1.0
|
OE1
|
B:GLU192
|
2.8
|
39.6
|
1.0
|
CG
|
B:ASP67
|
3.1
|
46.6
|
1.0
|
CD
|
B:GLU98
|
3.1
|
34.8
|
1.0
|
CG
|
B:HIS101
|
3.3
|
37.8
|
1.0
|
CE1
|
B:HIS101
|
3.3
|
37.6
|
1.0
|
OE2
|
B:GLU98
|
3.4
|
35.0
|
1.0
|
CB
|
B:HIS101
|
3.5
|
37.8
|
1.0
|
FE
|
B:FE403
|
3.7
|
43.1
|
1.0
|
OD2
|
B:ASP67
|
3.7
|
46.7
|
1.0
|
CZ
|
B:PHE162
|
3.9
|
58.3
|
1.0
|
CE2
|
B:PHE162
|
3.9
|
58.2
|
1.0
|
CG
|
B:GLU192
|
4.1
|
39.2
|
1.0
|
CB
|
B:ASP67
|
4.2
|
46.6
|
1.0
|
CG2
|
B:ILE188
|
4.4
|
44.2
|
1.0
|
NE2
|
B:HIS101
|
4.4
|
37.8
|
1.0
|
CD2
|
B:HIS101
|
4.4
|
37.7
|
1.0
|
CA
|
B:GLU98
|
4.4
|
33.6
|
1.0
|
CG
|
B:GLU98
|
4.5
|
34.3
|
1.0
|
OE1
|
B:GLU158
|
4.7
|
51.5
|
1.0
|
CA
|
B:ASP67
|
4.7
|
46.6
|
1.0
|
CB
|
B:GLU98
|
4.8
|
33.8
|
1.0
|
CE1
|
B:PHE162
|
4.9
|
58.2
|
1.0
|
CD2
|
B:PHE162
|
4.9
|
58.2
|
1.0
|
O
|
B:GLU98
|
4.9
|
33.8
|
1.0
|
|
Iron binding site 4 out
of 4 in 1r2f
Go back to
Iron Binding Sites List in 1r2f
Iron binding site 4 out
of 4 in the Ribonucleotide Reductase R2F Protein 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 R2F Protein From Salmonella Typhimurium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe403
b:43.1
occ:1.00
|
OE2
|
B:GLU98
|
2.0
|
35.0
|
1.0
|
OE1
|
B:GLU192
|
2.2
|
39.6
|
1.0
|
OE1
|
B:GLU158
|
2.2
|
51.5
|
1.0
|
ND1
|
B:HIS195
|
2.3
|
35.2
|
1.0
|
OE2
|
B:GLU158
|
2.5
|
51.5
|
1.0
|
CD
|
B:GLU158
|
2.7
|
51.4
|
1.0
|
CD
|
B:GLU98
|
3.1
|
34.8
|
1.0
|
CD
|
B:GLU192
|
3.2
|
39.5
|
1.0
|
CE1
|
B:HIS195
|
3.2
|
35.2
|
1.0
|
CG
|
B:HIS195
|
3.3
|
35.4
|
1.0
|
OE1
|
B:GLU98
|
3.6
|
35.1
|
1.0
|
CB
|
B:HIS195
|
3.7
|
35.5
|
1.0
|
FE
|
B:FE402
|
3.7
|
43.5
|
0.8
|
OE2
|
B:GLU192
|
3.7
|
39.6
|
1.0
|
CA
|
B:GLU192
|
3.9
|
38.6
|
1.0
|
CG
|
B:GLU158
|
4.1
|
51.4
|
1.0
|
CG
|
B:GLU192
|
4.3
|
39.2
|
1.0
|
NE2
|
B:HIS195
|
4.3
|
35.1
|
1.0
|
CG
|
B:GLU98
|
4.4
|
34.3
|
1.0
|
CB
|
B:GLU192
|
4.4
|
38.8
|
1.0
|
CD2
|
B:HIS195
|
4.4
|
35.3
|
1.0
|
CE2
|
B:PHE162
|
4.5
|
58.2
|
1.0
|
N
|
B:GLU192
|
4.6
|
38.8
|
1.0
|
CE1
|
B:HIS101
|
4.6
|
37.6
|
1.0
|
ND1
|
B:HIS101
|
4.7
|
37.6
|
1.0
|
CG
|
B:GLN70
|
4.7
|
44.6
|
1.0
|
CB
|
B:GLU158
|
4.8
|
51.2
|
1.0
|
NE2
|
B:GLN70
|
4.9
|
44.7
|
1.0
|
CG2
|
B:ILE94
|
4.9
|
29.2
|
1.0
|
O
|
B:GLU192
|
4.9
|
38.2
|
1.0
|
C
|
B:GLU192
|
5.0
|
38.3
|
1.0
|
|
Reference:
M.Eriksson,
A.Jordan,
H.Eklund.
Structure of Salmonella Typhimurium Nrdf Ribonucleotide Reductase in Its Oxidized and Reduced Forms. Biochemistry V. 37 13359 1998.
ISSN: ISSN 0006-2960
PubMed: 9748343
DOI: 10.1021/BI981380S
Page generated: Sat Aug 3 13:59:22 2024
|