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Iron in PDB 7gep: Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species

Enzymatic activity of Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species

All present enzymatic activity of Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species:
1.8.1.2;

Protein crystallography data

The structure of Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species, PDB code: 7gep 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 / 2.40
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 (%) 17.3 / n/a

Other elements in 7gep:

The structure of Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species also contains other interesting chemical elements:

Sodium (Na) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species (pdb code 7gep). 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 in Complex with A Partially Oxidized Sulfide Species, PDB code: 7gep:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 7gep

Go back to Iron Binding Sites List in 7gep
Iron binding site 1 out of 5 in the Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species


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 in Complex with A Partially Oxidized Sulfide Species within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:17.4
occ:1.00
 FE1 A:SF4575 0.0 17.4 1.0
S4 A:SF4575 2.2 16.0 1.0
SG A:CYS434 2.3 12.6 1.0
S3 A:SF4575 2.3 17.6 1.0
S2 A:SF4575 2.3 12.0 1.0
FE4 A:SF4575 2.7 17.2 1.0
FE3 A:SF4575 2.7 17.5 1.0
FE2 A:SF4575 2.7 15.2 1.0
CB A:CYS434 3.3 7.7 1.0
N A:GLY478 3.7 9.2 1.0
S1 A:SF4575 3.9 15.4 1.0
CA A:GLY478 4.0 10.1 1.0
N A:SER436 4.1 18.7 1.0
CA A:SER436 4.3 13.7 1.0
N A:CYS479 4.3 15.9 1.0
CB A:CYS483 4.4 8.6 1.0
C A:GLY478 4.5 11.6 1.0
OG1 A:THR477 4.5 11.0 1.0
SG A:CYS483 4.6 10.2 1.0
CB A:SER436 4.6 14.2 1.0
CA A:CYS434 4.6 12.1 1.0
N A:VAL435 4.8 11.8 1.0
C A:THR477 4.8 10.9 1.0
SG A:CYS479 4.8 13.1 1.0
C A:CYS434 4.8 12.3 1.0
SG A:CYS440 4.9 14.2 1.0
OG A:SER436 4.9 15.4 1.0

Iron binding site 2 out of 5 in 7gep

Go back to Iron Binding Sites List in 7gep
Iron binding site 2 out of 5 in the Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species


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 in Complex with A Partially Oxidized Sulfide Species within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:15.2
occ:1.00
 FE2 A:SF4575 0.0 15.2 1.0
SG A:CYS440 2.3 14.2 1.0
S1 A:SF4575 2.3 15.4 1.0
S4 A:SF4575 2.3 16.0 1.0
S3 A:SF4575 2.3 17.6 1.0
FE3 A:SF4575 2.7 17.5 1.0
FE4 A:SF4575 2.7 17.2 1.0
FE1 A:SF4575 2.7 17.4 1.0
CB A:CYS440 3.2 12.6 1.0
S2 A:SF4575 3.9 12.0 1.0
C3A A:SRM580 4.1 7.0 1.0
CBA A:SRM580 4.4 12.3 1.0
CA A:SER436 4.5 13.7 1.0
C4A A:SRM580 4.5 9.7 1.0
N A:SER436 4.5 18.7 1.0
SG A:CYS479 4.6 13.1 1.0
CA A:CYS440 4.6 14.5 1.0
CDA A:SRM580 4.6 16.6 1.0
N A:ALA443 4.6 11.9 1.0
CB A:LEU442 4.7 5.1 1.0
SG A:CYS434 4.8 12.6 1.0
SG A:CYS483 4.8 10.2 1.0
C1A A:SRM580 4.9 13.3 1.0
C A:LEU442 4.9 8.8 1.0
C2A A:SRM580 4.9 12.5 1.0
CA A:ALA443 4.9 12.1 1.0
CAA A:SRM580 4.9 9.1 1.0
NA A:SRM580 4.9 10.1 1.0
CB A:ALA443 5.0 11.1 1.0

Iron binding site 3 out of 5 in 7gep

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Iron binding site 3 out of 5 in the Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species


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 in Complex with A Partially Oxidized Sulfide Species within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:17.5
occ:1.00
 FE3 A:SF4575 0.0 17.5 1.0
SG A:CYS479 2.2 13.1 1.0
S2 A:SF4575 2.3 12.0 1.0
S4 A:SF4575 2.3 16.0 1.0
S1 A:SF4575 2.3 15.4 1.0
FE4 A:SF4575 2.7 17.2 1.0
FE1 A:SF4575 2.7 17.4 1.0
FE2 A:SF4575 2.7 15.2 1.0
CB A:CYS479 3.2 11.5 1.0
N A:CYS479 3.6 15.9 1.0
CA A:CYS479 3.8 12.4 1.0
S3 A:SF4575 3.9 17.6 1.0
O A:CYS479 4.1 13.7 1.0
C A:CYS479 4.2 11.7 1.0
C A:GLY478 4.2 11.6 1.0
CB A:ASN481 4.3 16.6 1.0
ND2 A:ASN481 4.3 18.2 1.0
SG A:CYS440 4.5 14.2 1.0
SG A:CYS483 4.6 10.2 1.0
O A:LEU442 4.7 12.1 1.0
CA A:GLY478 4.7 10.1 1.0
N A:ASN481 4.7 13.2 1.0
CG A:ASN481 4.8 17.5 1.0
CB A:LEU442 4.8 5.1 1.0
N A:GLY478 4.8 9.2 1.0
C A:LEU442 4.8 8.8 1.0
SG A:CYS434 4.8 12.6 1.0
O A:GLY478 4.9 12.5 1.0
CA A:ALA443 5.0 12.1 1.0

Iron binding site 4 out of 5 in 7gep

Go back to Iron Binding Sites List in 7gep
Iron binding site 4 out of 5 in the Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species


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 in Complex with A Partially Oxidized Sulfide Species within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:17.2
occ:1.00
 FE4 A:SF4575 0.0 17.2 1.0
SG A:CYS483 2.2 10.2 1.0
S1 A:SF4575 2.3 15.4 1.0
S2 A:SF4575 2.3 12.0 1.0
S3 A:SF4575 2.3 17.6 1.0
FE1 A:SF4575 2.7 17.4 1.0
FE3 A:SF4575 2.7 17.5 1.0
FE2 A:SF4575 2.7 15.2 1.0
CB A:CYS483 3.0 8.6 1.0
NA A:SRM580 3.8 10.1 1.0
S4 A:SF4575 3.8 16.0 1.0
C4A A:SRM580 3.9 9.7 1.0
N A:CYS483 4.1 9.7 1.0
FE A:SRM580 4.1 12.3 1.0
CA A:CYS483 4.2 7.8 1.0
C1A A:SRM580 4.2 13.3 1.0
CHB A:SRM580 4.3 12.3 1.0
C3A A:SRM580 4.4 7.0 1.0
ND A:SRM580 4.4 10.6 1.0
CB A:ASN481 4.5 16.6 1.0
SG A:CYS434 4.5 12.6 1.0
SG A:CYS479 4.6 13.1 1.0
CHA A:SRM580 4.6 10.1 1.0
CB A:CYS434 4.6 7.7 1.0
C4D A:SRM580 4.7 12.0 1.0
SG A:CYS440 4.7 14.2 1.0
C1B A:SRM580 4.8 12.3 1.0
NB A:SRM580 4.8 14.9 1.0
C1D A:SRM580 5.0 13.8 1.0
C2A A:SRM580 5.0 12.5 1.0

Iron binding site 5 out of 5 in 7gep

Go back to Iron Binding Sites List in 7gep
Iron binding site 5 out of 5 in the Sulfite Reductase Hemoprotein in Complex with A Partially Oxidized Sulfide Species


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 in Complex with A Partially Oxidized Sulfide Species within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe580

b:12.3
occ:1.00
 FE A:SRM580 0.0 12.3 1.0
NA A:SRM580 2.0 10.1 1.0
ND A:SRM580 2.0 10.6 1.0
NB A:SRM580 2.0 14.9 1.0
NC A:SRM580 2.0 12.1 1.0
S A:SX585 2.2 21.7 1.0
SG A:CYS483 2.4 10.2 1.0
C4D A:SRM580 3.0 12.0 1.0
C1A A:SRM580 3.0 13.3 1.0
C4A A:SRM580 3.0 9.7 1.0
C4C A:SRM580 3.0 14.2 1.0
C4B A:SRM580 3.0 13.7 1.0
C1B A:SRM580 3.1 12.3 1.0
C1D A:SRM580 3.1 13.8 1.0
C1C A:SRM580 3.1 12.4 1.0
CHA A:SRM580 3.3 10.1 1.0
CHB A:SRM580 3.4 12.3 1.0
CHD A:SRM580 3.4 13.5 1.0
CHC A:SRM580 3.4 13.1 1.0
CB A:CYS483 3.5 8.6 1.0
O A:SX585 3.5 20.6 1.0
FE4 A:SF4575 4.1 17.2 1.0
C3D A:SRM580 4.3 12.3 1.0
C2A A:SRM580 4.3 12.5 1.0
C3A A:SRM580 4.3 7.0 1.0
C3B A:SRM580 4.3 10.3 1.0
C2C A:SRM580 4.3 13.0 1.0
C2D A:SRM580 4.3 11.9 1.0
C3C A:SRM580 4.3 11.8 1.0
C2B A:SRM580 4.3 12.4 1.0
CA A:CYS483 4.4 7.8 1.0
CMA A:SRM580 4.7 11.8 1.0
CAB A:SRM580 4.8 4.7 1.0
NZ A:LYS215 4.9 22.7 1.0
CDB A:SRM580 5.0 11.3 1.0
N A:CYS483 5.0 9.7 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: Thu Aug 8 05:42:02 2024

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