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Iron in PDB 2aop: Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound

Enzymatic activity of Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound

All present enzymatic activity of Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound:
1.8.1.2;

Protein crystallography data

The structure of Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound, PDB code: 2aop 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 / 1.75
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 (%) 17.5 / n/a

Other elements in 2aop:

The structure of Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound also contains other interesting chemical elements:

Potassium (K) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound (pdb code 2aop). 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: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound, PDB code: 2aop:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 2aop

Go back to Iron Binding Sites List in 2aop
Iron binding site 1 out of 5 in the Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:11.8
occ:1.00
 FE1 A:SF4575 0.0 11.8 1.0
SG A:CYS434 2.2 9.2 1.0
S4 A:SF4575 2.2 11.0 1.0
S3 A:SF4575 2.2 10.8 1.0
S2 A:SF4575 2.3 10.1 1.0
FE4 A:SF4575 2.7 9.1 1.0
FE2 A:SF4575 2.7 11.2 1.0
FE3 A:SF4575 2.8 12.8 1.0
CB A:CYS434 3.2 8.0 1.0
N A:GLY478 3.6 11.5 1.0
S1 A:SF4575 3.8 10.3 1.0
CA A:GLY478 3.9 11.4 1.0
N A:SER436 4.0 11.8 1.0
CA A:SER436 4.2 12.5 1.0
N A:CYS479 4.3 10.7 1.0
CB A:SER436 4.4 13.5 1.0
CB A:CYS483 4.4 7.2 1.0
SG A:CYS483 4.4 9.5 1.0
OG1 A:THR477 4.4 11.4 1.0
C A:GLY478 4.5 10.8 1.0
CA A:CYS434 4.5 8.2 1.0
C A:CYS434 4.7 8.5 1.0
N A:VAL435 4.7 9.5 1.0
C A:THR477 4.7 10.9 1.0
SG A:CYS440 4.9 12.3 1.0
SG A:CYS479 4.9 10.9 1.0

Iron binding site 2 out of 5 in 2aop

Go back to Iron Binding Sites List in 2aop
Iron binding site 2 out of 5 in the Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:11.2
occ:1.00
 FE2 A:SF4575 0.0 11.2 1.0
S4 A:SF4575 2.2 11.0 1.0
S1 A:SF4575 2.3 10.3 1.0
SG A:CYS440 2.3 12.3 1.0
S3 A:SF4575 2.3 10.8 1.0
FE3 A:SF4575 2.7 12.8 1.0
FE4 A:SF4575 2.7 9.1 1.0
FE1 A:SF4575 2.7 11.8 1.0
CB A:CYS440 3.2 13.2 1.0
S2 A:SF4575 3.9 10.1 1.0
C3A A:SRM580 4.1 10.6 1.0
CA A:SER436 4.4 12.5 1.0
N A:SER436 4.4 11.8 1.0
N A:ALA443 4.5 14.1 1.0
CBA A:SRM580 4.5 11.4 1.0
SG A:CYS479 4.6 10.9 1.0
CB A:LEU442 4.6 11.0 1.0
CA A:CYS440 4.6 13.5 1.0
CA A:ALA443 4.7 13.4 1.0
CDA A:SRM580 4.7 13.3 1.0
C A:LEU442 4.8 13.2 1.0
SG A:CYS434 4.8 9.2 1.0
C4A A:SRM580 4.8 10.9 1.0
SG A:CYS483 4.8 9.5 1.0
CB A:ALA443 4.9 13.3 1.0
CAA A:SRM580 4.9 9.2 1.0
N A:LEU442 5.0 14.2 1.0

Iron binding site 3 out of 5 in 2aop

Go back to Iron Binding Sites List in 2aop
Iron binding site 3 out of 5 in the Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:12.8
occ:1.00
 FE3 A:SF4575 0.0 12.8 1.0
SG A:CYS479 2.2 10.9 1.0
S2 A:SF4575 2.2 10.1 1.0
S4 A:SF4575 2.3 11.0 1.0
S1 A:SF4575 2.3 10.3 1.0
FE2 A:SF4575 2.7 11.2 1.0
FE4 A:SF4575 2.8 9.1 1.0
FE1 A:SF4575 2.8 11.8 1.0
CB A:CYS479 3.2 10.2 1.0
N A:CYS479 3.4 10.7 1.0
CA A:CYS479 3.8 10.1 1.0
S3 A:SF4575 4.0 10.8 1.0
O A:CYS479 4.0 9.3 1.0
C A:GLY478 4.1 10.8 1.0
CB A:ASN481 4.1 10.8 1.0
C A:CYS479 4.2 10.1 1.0
ND2 A:ASN481 4.3 13.6 1.0
CA A:GLY478 4.5 11.4 1.0
SG A:CYS440 4.6 12.3 1.0
O A:LEU442 4.6 14.2 1.0
SG A:CYS483 4.7 9.5 1.0
N A:ASN481 4.7 11.2 1.0
CG A:ASN481 4.7 12.0 1.0
N A:GLY478 4.7 11.5 1.0
CB A:LEU442 4.7 11.0 1.0
C A:LEU442 4.7 13.2 1.0
O A:GLY478 4.8 12.0 1.0
SG A:CYS434 4.9 9.2 1.0
CA A:ALA443 4.9 13.4 1.0
N A:ALA443 4.9 14.1 1.0
CA A:ASN481 4.9 9.8 1.0

Iron binding site 4 out of 5 in 2aop

Go back to Iron Binding Sites List in 2aop
Iron binding site 4 out of 5 in the Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:9.1
occ:1.00
 FE4 A:SF4575 0.0 9.1 1.0
SG A:CYS483 2.2 9.5 1.0
S1 A:SF4575 2.2 10.3 1.0
S3 A:SF4575 2.3 10.8 1.0
S2 A:SF4575 2.4 10.1 1.0
FE1 A:SF4575 2.7 11.8 1.0
FE2 A:SF4575 2.7 11.2 1.0
FE3 A:SF4575 2.8 12.8 1.0
CB A:CYS483 3.2 7.2 1.0
S4 A:SF4575 3.8 11.0 1.0
NA A:SRM580 3.9 11.1 1.0
C4A A:SRM580 4.0 10.9 1.0
N A:CYS483 4.1 7.5 1.0
C3A A:SRM580 4.2 10.6 1.0
CA A:CYS483 4.3 8.1 1.0
C1A A:SRM580 4.3 11.2 1.0
FE A:SRM580 4.3 10.9 1.0
CB A:ASN481 4.4 10.8 1.0
ND A:SRM580 4.5 10.8 1.0
CHB A:SRM580 4.5 10.0 1.0
SG A:CYS434 4.5 9.2 1.0
CB A:CYS434 4.6 8.0 1.0
CHA A:SRM580 4.7 10.8 1.0
C4D A:SRM580 4.7 11.0 1.0
SG A:CYS479 4.7 10.9 1.0
SG A:CYS440 4.7 12.3 1.0
NB A:SRM580 4.8 9.9 1.0
C1B A:SRM580 4.9 9.9 1.0

Iron binding site 5 out of 5 in 2aop

Go back to Iron Binding Sites List in 2aop
Iron binding site 5 out of 5 in the Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Sulfite Reductase: Reduced with Crii Edta, Siroheme Feii, [4FE-4S] +1, Phosphate Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe580

b:10.9
occ:1.00
 FE A:SRM580 0.0 10.9 1.0
O1 A:PO4585 1.9 16.8 1.0
ND A:SRM580 2.0 10.8 1.0
NA A:SRM580 2.1 11.1 1.0
NB A:SRM580 2.1 9.9 1.0
NC A:SRM580 2.1 8.7 1.0
SG A:CYS483 2.7 9.5 1.0
C1D A:SRM580 3.0 9.9 1.0
C1B A:SRM580 3.0 9.9 1.0
C4D A:SRM580 3.0 11.0 1.0
C1C A:SRM580 3.1 8.4 1.0
C4A A:SRM580 3.1 10.9 1.0
C4B A:SRM580 3.1 9.7 1.0
C4C A:SRM580 3.1 8.5 1.0
C1A A:SRM580 3.1 11.2 1.0
P A:PO4585 3.2 20.2 1.0
CHB A:SRM580 3.4 10.0 1.0
CHD A:SRM580 3.4 9.1 1.0
CHC A:SRM580 3.4 8.2 1.0
CHA A:SRM580 3.5 10.8 1.0
O3 A:PO4585 3.6 19.6 1.0
CB A:CYS483 3.6 7.2 1.0
O2 A:PO4585 4.2 17.6 1.0
C3D A:SRM580 4.2 11.8 1.0
C2C A:SRM580 4.2 8.6 1.0
C2D A:SRM580 4.3 12.0 1.0
C3B A:SRM580 4.3 9.4 1.0
C3C A:SRM580 4.3 7.9 1.0
O4 A:PO4585 4.3 19.9 1.0
C2A A:SRM580 4.3 12.3 1.0
C3A A:SRM580 4.3 10.6 1.0
FE4 A:SF4575 4.3 9.1 1.0
C2B A:SRM580 4.4 11.4 1.0
CA A:CYS483 4.5 8.1 1.0
NZ A:LYS215 4.5 21.8 1.0
CAB A:SRM580 4.6 12.5 1.0
CMA A:SRM580 4.9 11.8 1.0
NZ A:LYS217 4.9 7.0 1.0
NH2 A:ARG83 5.0 32.8 1.0

Reference:

B.R.Crane, L.M.Siegel, E.D.Getzoff. Structures of the Siroheme- and FE4S4-Containing Active Center of Sulfite Reductase in Different States of Oxidation: Heme Activation Via Reduction-Gated Exogenous Ligand Exchange. Biochemistry V. 36 12101 1997.
ISSN: ISSN 0006-2960
PubMed: 9315848
DOI: 10.1021/BI971065Q
Page generated: Sat Aug 3 19:21:07 2024

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