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Iron in PDB 4gep: Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta

Enzymatic activity of Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta

All present enzymatic activity of Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta:
1.8.1.2;

Protein crystallography data

The structure of Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta, PDB code: 4gep 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 / 2.00
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 (%) 18.8 / n/a

Other elements in 4gep:

The structure of Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta also contains other interesting chemical elements:

Potassium (K) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta (pdb code 4gep). 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 Cyanide Complex Reduced with Crii Edta, PDB code: 4gep:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 4gep

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Iron binding site 1 out of 5 in the Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta


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 Cyanide Complex Reduced with Crii Edta within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:10.6
occ:1.00
 FE1 A:SF4575 0.0 10.6 1.0
S3 A:SF4575 2.2 11.0 1.0
S2 A:SF4575 2.3 10.4 1.0
SG A:CYS434 2.3 9.8 1.0
S4 A:SF4575 2.3 11.1 1.0
FE4 A:SF4575 2.6 10.2 1.0
FE2 A:SF4575 2.8 12.4 1.0
FE3 A:SF4575 2.8 11.8 1.0
CB A:CYS434 3.1 8.9 1.0
N A:GLY478 3.7 10.0 1.0
S1 A:SF4575 3.9 12.1 1.0
N A:SER436 4.0 12.9 1.0
CA A:GLY478 4.1 11.9 1.0
CA A:SER436 4.2 12.2 1.0
CB A:CYS483 4.2 7.1 1.0
CB A:SER436 4.4 12.6 1.0
OG1 A:THR477 4.5 12.8 1.0
CA A:CYS434 4.5 9.3 1.0
SG A:CYS483 4.6 8.2 1.0
N A:CYS479 4.6 7.8 1.0
N A:VAL435 4.6 9.9 1.0
C A:GLY478 4.6 9.8 1.0
C A:CYS434 4.7 9.1 1.0
C A:THR477 4.8 11.1 1.0
SG A:CYS479 4.9 11.6 1.0
SG A:CYS440 4.9 12.5 1.0
C A:VAL435 5.0 13.0 1.0

Iron binding site 2 out of 5 in 4gep

Go back to Iron Binding Sites List in 4gep
Iron binding site 2 out of 5 in the Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta


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 Cyanide Complex Reduced with Crii Edta within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:12.4
occ:1.00
 FE2 A:SF4575 0.0 12.4 1.0
S4 A:SF4575 2.2 11.1 1.0
S1 A:SF4575 2.3 12.1 1.0
SG A:CYS440 2.3 12.5 1.0
S3 A:SF4575 2.4 11.0 1.0
FE3 A:SF4575 2.6 11.8 1.0
FE1 A:SF4575 2.8 10.6 1.0
FE4 A:SF4575 2.8 10.2 1.0
CB A:CYS440 3.3 11.8 1.0
S2 A:SF4575 3.9 10.4 1.0
C3A A:SRM580 4.3 7.5 1.0
CA A:SER436 4.3 12.2 1.0
N A:SER436 4.3 12.9 1.0
N A:ALA443 4.4 11.5 1.0
CBA A:SRM580 4.4 9.2 1.0
CA A:ALA443 4.6 10.5 1.0
SG A:CYS479 4.6 11.6 1.0
CB A:ALA443 4.7 9.7 1.0
CB A:LEU442 4.7 11.6 1.0
CA A:CYS440 4.7 15.0 1.0
C A:LEU442 4.7 10.6 1.0
CDA A:SRM580 4.8 12.7 1.0
C4A A:SRM580 4.8 11.4 1.0
SG A:CYS434 4.9 9.8 1.0
SG A:CYS483 5.0 8.2 1.0

Iron binding site 3 out of 5 in 4gep

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Iron binding site 3 out of 5 in the Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta


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 Cyanide Complex Reduced with Crii Edta within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:11.8
occ:1.00
 FE3 A:SF4575 0.0 11.8 1.0
S2 A:SF4575 2.3 10.4 1.0
S4 A:SF4575 2.3 11.1 1.0
SG A:CYS479 2.3 11.6 1.0
S1 A:SF4575 2.3 12.1 1.0
FE2 A:SF4575 2.6 12.4 1.0
FE4 A:SF4575 2.7 10.2 1.0
FE1 A:SF4575 2.8 10.6 1.0
CB A:CYS479 3.3 9.6 1.0
N A:CYS479 3.8 7.8 1.0
S3 A:SF4575 3.9 11.0 1.0
CA A:CYS479 4.0 9.4 1.0
CB A:ASN481 4.1 8.3 1.0
O A:CYS479 4.1 11.9 1.0
ND2 A:ASN481 4.2 8.4 1.0
C A:GLY478 4.3 9.8 1.0
C A:CYS479 4.3 11.8 1.0
SG A:CYS440 4.5 12.5 1.0
O A:LEU442 4.6 13.6 1.0
CG A:ASN481 4.6 10.4 1.0
CA A:GLY478 4.7 11.9 1.0
C A:LEU442 4.7 10.6 1.0
SG A:CYS483 4.7 8.2 1.0
CB A:LEU442 4.7 11.6 1.0
N A:ASN481 4.7 10.2 1.0
CA A:ALA443 4.8 10.5 1.0
N A:GLY478 4.8 10.0 1.0
O A:GLY478 4.8 12.4 1.0
N A:ALA443 4.9 11.5 1.0
SG A:CYS434 4.9 9.8 1.0
CA A:ASN481 4.9 9.1 1.0
N A:GLY482 5.0 12.2 1.0

Iron binding site 4 out of 5 in 4gep

Go back to Iron Binding Sites List in 4gep
Iron binding site 4 out of 5 in the Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta


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 Cyanide Complex Reduced with Crii Edta within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:10.2
occ:1.00
 FE4 A:SF4575 0.0 10.2 1.0
S3 A:SF4575 2.3 11.0 1.0
S2 A:SF4575 2.3 10.4 1.0
S1 A:SF4575 2.3 12.1 1.0
SG A:CYS483 2.3 8.2 1.0
FE1 A:SF4575 2.6 10.6 1.0
FE3 A:SF4575 2.7 11.8 1.0
FE2 A:SF4575 2.8 12.4 1.0
CB A:CYS483 3.0 7.1 1.0
NA A:SRM580 3.7 10.3 1.0
S4 A:SF4575 3.8 11.1 1.0
C4A A:SRM580 4.0 11.4 1.0
N A:CYS483 4.0 9.0 1.0
FE A:SRM580 4.1 10.3 1.0
CA A:CYS483 4.1 9.7 1.0
C1A A:SRM580 4.2 11.5 1.0
C3A A:SRM580 4.3 7.5 1.0
ND A:SRM580 4.3 12.2 1.0
CHB A:SRM580 4.4 9.3 1.0
CB A:CYS434 4.4 8.9 1.0
CB A:ASN481 4.5 8.3 1.0
SG A:CYS434 4.5 9.8 1.0
CHA A:SRM580 4.6 9.7 1.0
C4D A:SRM580 4.6 11.6 1.0
NB A:SRM580 4.7 11.9 1.0
C1B A:SRM580 4.7 10.4 1.0
SG A:CYS440 4.8 12.5 1.0
SG A:CYS479 4.8 11.6 1.0
C2A A:SRM580 4.9 12.7 1.0
C1D A:SRM580 5.0 11.7 1.0

Iron binding site 5 out of 5 in 4gep

Go back to Iron Binding Sites List in 4gep
Iron binding site 5 out of 5 in the Sulfite Reductase Hemoprotein Cyanide Complex Reduced with Crii Edta


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 Cyanide Complex Reduced with Crii Edta within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe580

b:10.3
occ:1.00
 FE A:SRM580 0.0 10.3 1.0
C A:CYN585 1.8 13.6 1.0
NC A:SRM580 2.0 9.8 1.0
ND A:SRM580 2.0 12.2 1.0
NB A:SRM580 2.0 11.9 1.0
NA A:SRM580 2.1 10.3 1.0
SG A:CYS483 2.2 8.2 1.0
N A:CYN585 3.0 18.8 1.0
C4D A:SRM580 3.0 11.6 1.0
C1C A:SRM580 3.0 10.1 1.0
C4B A:SRM580 3.0 11.2 1.0
C4C A:SRM580 3.0 11.3 1.0
C1D A:SRM580 3.0 11.7 1.0
C1A A:SRM580 3.1 11.5 1.0
C1B A:SRM580 3.1 10.4 1.0
C4A A:SRM580 3.1 11.4 1.0
CHA A:SRM580 3.3 9.7 1.0
CHC A:SRM580 3.4 9.1 1.0
CB A:CYS483 3.4 7.1 1.0
CHD A:SRM580 3.4 11.9 1.0
CHB A:SRM580 3.4 9.3 1.0
FE4 A:SF4575 4.1 10.2 1.0
CA A:CYS483 4.2 9.7 1.0
C3B A:SRM580 4.3 9.9 1.0
C2C A:SRM580 4.3 11.2 1.0
C3D A:SRM580 4.3 13.4 1.0
C3C A:SRM580 4.3 7.2 1.0
C2D A:SRM580 4.3 14.3 1.0
C3A A:SRM580 4.3 7.5 1.0
C2A A:SRM580 4.3 12.7 1.0
C2B A:SRM580 4.4 11.2 1.0
NZ A:LYS215 4.6 20.1 1.0
CAB A:SRM580 4.6 9.7 1.0
CMA A:SRM580 4.8 10.4 1.0
N A:CYS483 4.9 9.0 1.0
NZ A:LYS217 4.9 4.7 1.0
CDB A:SRM580 4.9 8.7 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: Tue Aug 5 10:37:30 2025

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