Iron in PDB 3geo: Sulfite Reductase Hemoprotein Nitrite Complex
Enzymatic activity of Sulfite Reductase Hemoprotein Nitrite Complex
All present enzymatic activity of Sulfite Reductase Hemoprotein Nitrite Complex:
1.8.1.2;
Protein crystallography data
The structure of Sulfite Reductase Hemoprotein Nitrite Complex, PDB code: 3geo
was solved by
B.R.Crane,
E.D.Getzoff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
10.00 /
2.10
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
69.800,
77.400,
87.800,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.5 /
n/a
|
Other elements in 3geo:
The structure of Sulfite Reductase Hemoprotein Nitrite Complex also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Sulfite Reductase Hemoprotein Nitrite Complex
(pdb code 3geo). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 5 binding sites of Iron where determined in the
Sulfite Reductase Hemoprotein Nitrite Complex, PDB code: 3geo:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
Iron binding site 1 out
of 5 in 3geo
Go back to
Iron Binding Sites List in 3geo
Iron binding site 1 out
of 5 in the Sulfite Reductase Hemoprotein Nitrite Complex
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Sulfite Reductase Hemoprotein Nitrite Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe575
b:27.0
occ:1.00
|
FE1
|
A:SF4575
|
0.0
|
27.0
|
1.0
|
S3
|
A:SF4575
|
2.2
|
26.4
|
1.0
|
SG
|
A:CYS434
|
2.3
|
25.2
|
1.0
|
S2
|
A:SF4575
|
2.3
|
25.9
|
1.0
|
S4
|
A:SF4575
|
2.3
|
26.2
|
1.0
|
FE4
|
A:SF4575
|
2.6
|
28.4
|
1.0
|
FE3
|
A:SF4575
|
2.7
|
26.2
|
1.0
|
FE2
|
A:SF4575
|
2.8
|
28.9
|
1.0
|
CB
|
A:CYS434
|
3.3
|
19.8
|
1.0
|
N
|
A:GLY478
|
3.6
|
17.1
|
1.0
|
CA
|
A:GLY478
|
3.8
|
17.9
|
1.0
|
S1
|
A:SF4575
|
3.9
|
26.6
|
1.0
|
N
|
A:SER436
|
3.9
|
28.2
|
1.0
|
CA
|
A:SER436
|
4.1
|
27.7
|
1.0
|
N
|
A:CYS479
|
4.2
|
19.7
|
1.0
|
CB
|
A:CYS483
|
4.2
|
19.9
|
1.0
|
CB
|
A:SER436
|
4.4
|
26.0
|
1.0
|
C
|
A:GLY478
|
4.4
|
17.3
|
1.0
|
OG1
|
A:THR477
|
4.5
|
18.4
|
1.0
|
SG
|
A:CYS483
|
4.5
|
26.0
|
1.0
|
CA
|
A:CYS434
|
4.6
|
20.0
|
1.0
|
C
|
A:THR477
|
4.7
|
19.6
|
1.0
|
N
|
A:VAL435
|
4.7
|
23.3
|
1.0
|
C
|
A:CYS434
|
4.7
|
22.6
|
1.0
|
SG
|
A:CYS479
|
4.9
|
25.2
|
1.0
|
N
|
A:CYS483
|
5.0
|
21.9
|
1.0
|
OG
|
A:SER436
|
5.0
|
22.7
|
1.0
|
SG
|
A:CYS440
|
5.0
|
26.8
|
1.0
|
C
|
A:VAL435
|
5.0
|
29.0
|
1.0
|
|
Iron binding site 2 out
of 5 in 3geo
Go back to
Iron Binding Sites List in 3geo
Iron binding site 2 out
of 5 in the Sulfite Reductase Hemoprotein Nitrite Complex
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Sulfite Reductase Hemoprotein Nitrite Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe575
b:28.9
occ:1.00
|
FE2
|
A:SF4575
|
0.0
|
28.9
|
1.0
|
S4
|
A:SF4575
|
2.3
|
26.2
|
1.0
|
SG
|
A:CYS440
|
2.3
|
26.8
|
1.0
|
S1
|
A:SF4575
|
2.3
|
26.6
|
1.0
|
S3
|
A:SF4575
|
2.4
|
26.4
|
1.0
|
FE3
|
A:SF4575
|
2.7
|
26.2
|
1.0
|
FE4
|
A:SF4575
|
2.8
|
28.4
|
1.0
|
FE1
|
A:SF4575
|
2.8
|
27.0
|
1.0
|
CB
|
A:CYS440
|
3.2
|
27.0
|
1.0
|
S2
|
A:SF4575
|
3.9
|
25.9
|
1.0
|
C3A
|
A:SRM580
|
4.3
|
29.7
|
1.0
|
CA
|
A:SER436
|
4.3
|
27.7
|
1.0
|
N
|
A:SER436
|
4.4
|
28.2
|
1.0
|
N
|
A:ALA443
|
4.4
|
29.5
|
1.0
|
CB
|
A:LEU442
|
4.5
|
26.6
|
1.0
|
CBA
|
A:SRM580
|
4.6
|
35.1
|
1.0
|
SG
|
A:CYS479
|
4.6
|
25.2
|
1.0
|
C
|
A:LEU442
|
4.6
|
30.5
|
1.0
|
CA
|
A:CYS440
|
4.7
|
31.4
|
1.0
|
CA
|
A:ALA443
|
4.7
|
30.3
|
1.0
|
C4A
|
A:SRM580
|
4.8
|
28.8
|
1.0
|
CB
|
A:ALA443
|
4.8
|
28.6
|
1.0
|
CDA
|
A:SRM580
|
4.9
|
38.1
|
1.0
|
SG
|
A:CYS434
|
4.9
|
25.2
|
1.0
|
N
|
A:LEU442
|
5.0
|
33.5
|
1.0
|
SG
|
A:CYS483
|
5.0
|
26.0
|
1.0
|
CA
|
A:LEU442
|
5.0
|
29.5
|
1.0
|
|
Iron binding site 3 out
of 5 in 3geo
Go back to
Iron Binding Sites List in 3geo
Iron binding site 3 out
of 5 in the Sulfite Reductase Hemoprotein Nitrite Complex
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Sulfite Reductase Hemoprotein Nitrite Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe575
b:26.2
occ:1.00
|
FE3
|
A:SF4575
|
0.0
|
26.2
|
1.0
|
S2
|
A:SF4575
|
2.3
|
25.9
|
1.0
|
SG
|
A:CYS479
|
2.3
|
25.2
|
1.0
|
S4
|
A:SF4575
|
2.3
|
26.2
|
1.0
|
S1
|
A:SF4575
|
2.3
|
26.6
|
1.0
|
FE2
|
A:SF4575
|
2.7
|
28.9
|
1.0
|
FE1
|
A:SF4575
|
2.7
|
27.0
|
1.0
|
FE4
|
A:SF4575
|
2.8
|
28.4
|
1.0
|
CB
|
A:CYS479
|
3.2
|
21.9
|
1.0
|
N
|
A:CYS479
|
3.4
|
19.7
|
1.0
|
CA
|
A:CYS479
|
3.7
|
21.3
|
1.0
|
S3
|
A:SF4575
|
3.9
|
26.4
|
1.0
|
O
|
A:CYS479
|
3.9
|
24.5
|
1.0
|
C
|
A:GLY478
|
4.1
|
17.3
|
1.0
|
C
|
A:CYS479
|
4.1
|
21.9
|
1.0
|
ND2
|
A:ASN481
|
4.1
|
31.3
|
1.0
|
CB
|
A:ASN481
|
4.2
|
21.7
|
1.0
|
O
|
A:HOH787
|
4.2
|
93.9
|
1.0
|
O
|
A:LEU442
|
4.3
|
32.8
|
1.0
|
CA
|
A:GLY478
|
4.5
|
17.9
|
1.0
|
CB
|
A:LEU442
|
4.6
|
26.6
|
1.0
|
C
|
A:LEU442
|
4.6
|
30.5
|
1.0
|
SG
|
A:CYS440
|
4.6
|
26.8
|
1.0
|
CG
|
A:ASN481
|
4.7
|
29.4
|
1.0
|
SG
|
A:CYS483
|
4.7
|
26.0
|
1.0
|
N
|
A:GLY478
|
4.7
|
17.1
|
1.0
|
N
|
A:ASN481
|
4.8
|
20.9
|
1.0
|
O
|
A:GLY478
|
4.8
|
16.9
|
1.0
|
CA
|
A:ALA443
|
4.8
|
30.3
|
1.0
|
N
|
A:ALA443
|
4.8
|
29.5
|
1.0
|
SG
|
A:CYS434
|
4.9
|
25.2
|
1.0
|
|
Iron binding site 4 out
of 5 in 3geo
Go back to
Iron Binding Sites List in 3geo
Iron binding site 4 out
of 5 in the Sulfite Reductase Hemoprotein Nitrite Complex
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Sulfite Reductase Hemoprotein Nitrite Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe575
b:28.4
occ:1.00
|
FE4
|
A:SF4575
|
0.0
|
28.4
|
1.0
|
S2
|
A:SF4575
|
2.2
|
25.9
|
1.0
|
SG
|
A:CYS483
|
2.3
|
26.0
|
1.0
|
S3
|
A:SF4575
|
2.3
|
26.4
|
1.0
|
S1
|
A:SF4575
|
2.3
|
26.6
|
1.0
|
FE1
|
A:SF4575
|
2.6
|
27.0
|
1.0
|
FE3
|
A:SF4575
|
2.8
|
26.2
|
1.0
|
FE2
|
A:SF4575
|
2.8
|
28.9
|
1.0
|
CB
|
A:CYS483
|
3.0
|
19.9
|
1.0
|
NA
|
A:SRM580
|
3.9
|
27.5
|
1.0
|
S4
|
A:SF4575
|
3.9
|
26.2
|
1.0
|
C4A
|
A:SRM580
|
4.0
|
28.8
|
1.0
|
N
|
A:CYS483
|
4.0
|
21.9
|
1.0
|
CA
|
A:CYS483
|
4.1
|
19.5
|
1.0
|
FE
|
A:SRM580
|
4.1
|
27.6
|
1.0
|
C1A
|
A:SRM580
|
4.3
|
30.5
|
1.0
|
CHB
|
A:SRM580
|
4.3
|
24.9
|
1.0
|
C3A
|
A:SRM580
|
4.4
|
29.7
|
1.0
|
CB
|
A:ASN481
|
4.4
|
21.7
|
1.0
|
SG
|
A:CYS434
|
4.5
|
25.2
|
1.0
|
ND
|
A:SRM580
|
4.5
|
29.9
|
1.0
|
CB
|
A:CYS434
|
4.6
|
19.8
|
1.0
|
C1B
|
A:SRM580
|
4.6
|
27.8
|
1.0
|
NB
|
A:SRM580
|
4.6
|
27.2
|
1.0
|
CHA
|
A:SRM580
|
4.6
|
26.8
|
1.0
|
C4D
|
A:SRM580
|
4.7
|
30.1
|
1.0
|
SG
|
A:CYS479
|
4.7
|
25.2
|
1.0
|
SG
|
A:CYS440
|
4.8
|
26.8
|
1.0
|
ND2
|
A:ASN481
|
5.0
|
31.3
|
1.0
|
|
Iron binding site 5 out
of 5 in 3geo
Go back to
Iron Binding Sites List in 3geo
Iron binding site 5 out
of 5 in the Sulfite Reductase Hemoprotein Nitrite Complex
Mono view
Stereo pair view
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Sulfite Reductase Hemoprotein Nitrite Complex within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe580
b:27.6
occ:1.00
|
FE
|
A:SRM580
|
0.0
|
27.6
|
1.0
|
N
|
A:NO2585
|
2.0
|
33.2
|
1.0
|
NB
|
A:SRM580
|
2.1
|
27.2
|
1.0
|
ND
|
A:SRM580
|
2.1
|
29.9
|
1.0
|
NC
|
A:SRM580
|
2.1
|
26.1
|
1.0
|
NA
|
A:SRM580
|
2.1
|
27.5
|
1.0
|
SG
|
A:CYS483
|
2.4
|
26.0
|
1.0
|
O1
|
A:NO2585
|
2.7
|
38.1
|
1.0
|
O2
|
A:NO2585
|
2.9
|
36.4
|
1.0
|
C1B
|
A:SRM580
|
3.0
|
27.8
|
1.0
|
C1D
|
A:SRM580
|
3.0
|
31.2
|
1.0
|
C4A
|
A:SRM580
|
3.0
|
28.8
|
1.0
|
C4B
|
A:SRM580
|
3.1
|
26.7
|
1.0
|
C4D
|
A:SRM580
|
3.1
|
30.1
|
1.0
|
C1C
|
A:SRM580
|
3.1
|
25.4
|
1.0
|
C4C
|
A:SRM580
|
3.1
|
28.5
|
1.0
|
C1A
|
A:SRM580
|
3.1
|
30.5
|
1.0
|
CHB
|
A:SRM580
|
3.4
|
24.9
|
1.0
|
CHD
|
A:SRM580
|
3.4
|
31.4
|
1.0
|
CHC
|
A:SRM580
|
3.4
|
24.7
|
1.0
|
CHA
|
A:SRM580
|
3.4
|
26.8
|
1.0
|
CB
|
A:CYS483
|
3.5
|
19.9
|
1.0
|
FE4
|
A:SF4575
|
4.1
|
28.4
|
1.0
|
C3B
|
A:SRM580
|
4.3
|
24.6
|
1.0
|
C2D
|
A:SRM580
|
4.3
|
33.8
|
1.0
|
C3A
|
A:SRM580
|
4.3
|
29.7
|
1.0
|
C3D
|
A:SRM580
|
4.3
|
33.1
|
1.0
|
C2C
|
A:SRM580
|
4.3
|
27.9
|
1.0
|
C2B
|
A:SRM580
|
4.3
|
27.8
|
1.0
|
CA
|
A:CYS483
|
4.3
|
19.5
|
1.0
|
C2A
|
A:SRM580
|
4.3
|
34.2
|
1.0
|
C3C
|
A:SRM580
|
4.4
|
28.1
|
1.0
|
CAB
|
A:SRM580
|
4.6
|
24.9
|
1.0
|
NZ
|
A:LYS215
|
4.6
|
45.7
|
1.0
|
CMA
|
A:SRM580
|
4.7
|
29.5
|
1.0
|
NZ
|
A:LYS217
|
4.9
|
17.2
|
1.0
|
CBB
|
A:SRM580
|
4.9
|
30.7
|
1.0
|
CDB
|
A:SRM580
|
5.0
|
27.5
|
1.0
|
|
Reference:
B.R.Crane,
L.M.Siegel,
E.D.Getzoff.
Probing the Catalytic Mechanism of Sulfite Reductase By X-Ray Crystallography: Structures of the Escherichia Coli Hemoprotein in Complex with Substrates, Inhibitors, Intermediates, and Products. Biochemistry V. 36 12120 1997.
ISSN: ISSN 0006-2960
PubMed: 9315849
DOI: 10.1021/BI971066I
Page generated: Sun Aug 4 10:41:59 2024
|