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Iron in PDB 5aop: Sulfite Reductase Structure Reduced with Crii Edta, 5-Coordinate Siroheme, Siroheme Feii, [4FE-4S] +1

Enzymatic activity of Sulfite Reductase Structure Reduced with Crii Edta, 5-Coordinate Siroheme, Siroheme Feii, [4FE-4S] +1

All present enzymatic activity of Sulfite Reductase Structure Reduced with Crii Edta, 5-Coordinate Siroheme, Siroheme Feii, [4FE-4S] +1:
1.8.1.2;

Protein crystallography data

The structure of Sulfite Reductase Structure Reduced with Crii Edta, 5-Coordinate Siroheme, Siroheme Feii, [4FE-4S] +1, PDB code: 5aop 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 / 2.20
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 (%) 16.4 / n/a

Other elements in 5aop:

The structure of Sulfite Reductase Structure Reduced with Crii Edta, 5-Coordinate Siroheme, Siroheme Feii, [4FE-4S] +1 also contains other interesting chemical elements:

Potassium (K) 1 atom

Iron Binding Sites:

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

Iron binding site 1 out of 5 in 5aop

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sulfite Reductase Structure Reduced with Crii Edta, 5-Coordinate Siroheme, Siroheme Feii, [4FE-4S] +1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:8.6
occ:1.00
 FE1 A:SF4575 0.0 8.6 1.0
S3 A:SF4575 2.2 11.0 1.0
SG A:CYS434 2.2 9.6 1.0
S4 A:SF4575 2.3 10.0 1.0
S2 A:SF4575 2.3 7.9 1.0
FE4 A:SF4575 2.6 10.9 1.0
FE3 A:SF4575 2.7 12.7 1.0
FE2 A:SF4575 2.8 11.2 1.0
CB A:CYS434 3.2 5.5 1.0
N A:GLY478 3.7 11.0 1.0
S1 A:SF4575 3.8 10.7 1.0
N A:SER436 3.9 13.1 1.0
CA A:GLY478 4.1 10.5 1.0
CA A:SER436 4.2 11.9 1.0
CB A:SER436 4.4 12.8 1.0
CB A:CYS483 4.4 5.6 1.0
OG1 A:THR477 4.5 12.9 1.0
SG A:CYS483 4.5 9.3 1.0
N A:CYS479 4.5 9.1 1.0
CA A:CYS434 4.5 7.4 1.0
C A:GLY478 4.6 9.9 1.0
N A:VAL435 4.6 9.3 1.0
C A:CYS434 4.7 7.8 1.0
C A:THR477 4.8 10.5 1.0
SG A:CYS479 4.9 10.3 1.0
SG A:CYS440 5.0 10.6 1.0
OG A:SER436 5.0 11.6 1.0
C A:VAL435 5.0 13.7 1.0

Iron binding site 2 out of 5 in 5aop

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Iron binding site 2 out of 5 in the Sulfite Reductase Structure Reduced with Crii Edta, 5-Coordinate Siroheme, Siroheme Feii, [4FE-4S] +1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sulfite Reductase Structure Reduced with Crii Edta, 5-Coordinate Siroheme, Siroheme Feii, [4FE-4S] +1 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 2.3 10.0 1.0
SG A:CYS440 2.3 10.6 1.0
S1 A:SF4575 2.3 10.7 1.0
S3 A:SF4575 2.3 11.0 1.0
FE3 A:SF4575 2.7 12.7 1.0
FE4 A:SF4575 2.7 10.9 1.0
FE1 A:SF4575 2.8 8.6 1.0
CB A:CYS440 3.2 10.2 1.0
S2 A:SF4575 3.9 7.9 1.0
C3A A:SRM580 4.2 6.8 1.0
CA A:SER436 4.3 11.9 1.0
N A:ALA443 4.4 13.4 1.0
N A:SER436 4.4 13.1 1.0
CBA A:SRM580 4.5 10.7 1.0
SG A:CYS479 4.6 10.3 1.0
CB A:LEU442 4.6 5.2 1.0
CA A:ALA443 4.6 10.4 1.0
CDA A:SRM580 4.6 14.1 1.0
CA A:CYS440 4.6 11.5 1.0
C A:LEU442 4.7 10.3 1.0
C4A A:SRM580 4.8 9.2 1.0
CB A:ALA443 4.8 9.8 1.0
SG A:CYS434 4.8 9.6 1.0
SG A:CYS483 4.9 9.3 1.0
C2A A:SRM580 4.9 12.5 1.0

Iron binding site 3 out of 5 in 5aop

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Sulfite Reductase Structure Reduced with Crii Edta, 5-Coordinate Siroheme, Siroheme Feii, [4FE-4S] +1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:12.7
occ:1.00
 FE3 A:SF4575 0.0 12.7 1.0
S2 A:SF4575 2.2 7.9 1.0
SG A:CYS479 2.2 10.3 1.0
S1 A:SF4575 2.3 10.7 1.0
S4 A:SF4575 2.3 10.0 1.0
FE2 A:SF4575 2.7 11.2 1.0
FE4 A:SF4575 2.7 10.9 1.0
FE1 A:SF4575 2.7 8.6 1.0
CB A:CYS479 3.3 8.6 1.0
N A:CYS479 3.6 9.1 1.0
S3 A:SF4575 3.9 11.0 1.0
CA A:CYS479 3.9 8.9 1.0
O A:CYS479 4.2 11.6 1.0
CB A:ASN481 4.2 6.3 1.0
C A:GLY478 4.2 9.9 1.0
ND2 A:ASN481 4.3 9.7 1.0
C A:CYS479 4.3 10.3 1.0
O A:LEU442 4.5 14.4 1.0
SG A:CYS440 4.6 10.6 1.0
CA A:GLY478 4.6 10.5 1.0
CG A:ASN481 4.7 10.4 1.0
C A:LEU442 4.7 10.3 1.0
SG A:CYS483 4.7 9.3 1.0
N A:GLY478 4.7 11.0 1.0
N A:ASN481 4.7 11.0 1.0
CA A:ALA443 4.8 10.4 1.0
CB A:LEU442 4.8 5.2 1.0
O A:GLY478 4.8 10.3 1.0
SG A:CYS434 4.8 9.6 1.0
N A:ALA443 4.8 13.4 1.0
CA A:ASN481 5.0 8.1 1.0
N A:GLY482 5.0 10.9 1.0

Iron binding site 4 out of 5 in 5aop

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Sulfite Reductase Structure Reduced with Crii Edta, 5-Coordinate Siroheme, Siroheme Feii, [4FE-4S] +1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:10.9
occ:1.00
 FE4 A:SF4575 0.0 10.9 1.0
S1 A:SF4575 2.2 10.7 1.0
SG A:CYS483 2.3 9.3 1.0
S2 A:SF4575 2.3 7.9 1.0
S3 A:SF4575 2.3 11.0 1.0
FE1 A:SF4575 2.6 8.6 1.0
FE3 A:SF4575 2.7 12.7 1.0
FE2 A:SF4575 2.7 11.2 1.0
CB A:CYS483 3.1 5.6 1.0
S4 A:SF4575 3.8 10.0 1.0
NA A:SRM580 3.9 10.0 1.0
C4A A:SRM580 4.0 9.2 1.0
N A:CYS483 4.0 7.8 1.0
FE A:SRM580 4.1 11.5 1.0
CA A:CYS483 4.2 8.6 1.0
C1A A:SRM580 4.2 10.3 1.0
C3A A:SRM580 4.3 6.8 1.0
CB A:ASN481 4.4 6.3 1.0
CHB A:SRM580 4.4 6.6 1.0
ND A:SRM580 4.5 12.1 1.0
SG A:CYS434 4.5 9.6 1.0
CB A:CYS434 4.6 5.5 1.0
CHA A:SRM580 4.6 7.5 1.0
SG A:CYS479 4.7 10.3 1.0
C4D A:SRM580 4.7 11.0 1.0
SG A:CYS440 4.7 10.6 1.0
C1B A:SRM580 4.8 8.6 1.0
NB A:SRM580 4.8 11.1 1.0
C2A A:SRM580 4.9 12.5 1.0
ND2 A:ASN481 4.9 9.7 1.0

Iron binding site 5 out of 5 in 5aop

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


Mono view


Stereo pair view

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

b:11.5
occ:1.00
 FE A:SRM580 0.0 11.5 1.0
NB A:SRM580 2.0 11.1 1.0
ND A:SRM580 2.0 12.1 1.0
NA A:SRM580 2.0 10.0 1.0
NC A:SRM580 2.0 8.7 1.0
SG A:CYS483 2.4 9.3 1.0
C4B A:SRM580 3.0 9.8 1.0
C1A A:SRM580 3.0 10.3 1.0
C4D A:SRM580 3.0 11.0 1.0
C4A A:SRM580 3.0 9.2 1.0
C1C A:SRM580 3.0 7.1 1.0
C1B A:SRM580 3.0 8.6 1.0
C1D A:SRM580 3.1 12.4 1.0
C4C A:SRM580 3.1 9.8 1.0
CHA A:SRM580 3.3 7.5 1.0
CHC A:SRM580 3.4 6.4 1.0
CHB A:SRM580 3.4 6.6 1.0
CB A:CYS483 3.4 5.6 1.0
CHD A:SRM580 3.5 10.2 1.0
FE4 A:SF4575 4.1 10.9 1.0
C3D A:SRM580 4.2 13.1 1.0
C2C A:SRM580 4.2 7.3 1.0
C3C A:SRM580 4.3 7.6 1.0
C2D A:SRM580 4.3 13.4 1.0
C3B A:SRM580 4.3 10.4 1.0
C3A A:SRM580 4.3 6.8 1.0
C2A A:SRM580 4.3 12.5 1.0
CA A:CYS483 4.3 8.6 1.0
C2B A:SRM580 4.3 9.7 1.0
O A:HOH837 4.6 40.3 1.0
CAB A:SRM580 4.7 10.1 1.0
CMA A:SRM580 4.8 12.7 1.0
NZ A:LYS215 4.8 17.7 0.5
CDB A:SRM580 4.9 10.3 1.0
N A:CYS483 4.9 7.8 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: Tue Aug 5 19:07:37 2025

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