Iron in PDB 8gep: Sulfite Reductase Hemoprotein Nitrate Complex

Enzymatic activity of Sulfite Reductase Hemoprotein Nitrate Complex

All present enzymatic activity of Sulfite Reductase Hemoprotein Nitrate Complex:
1.8.1.2;

Protein crystallography data

The structure of Sulfite Reductase Hemoprotein Nitrate Complex, PDB code: 8gep 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 (%) 18.9 / n/a

Other elements in 8gep:

The structure of Sulfite Reductase Hemoprotein Nitrate Complex also contains other interesting chemical elements:

Potassium (K) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Sulfite Reductase Hemoprotein Nitrate Complex (pdb code 8gep). 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 Nitrate Complex, PDB code: 8gep:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 8gep

Go back to Iron Binding Sites List in 8gep
Iron binding site 1 out of 5 in the Sulfite Reductase Hemoprotein Nitrate 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 Nitrate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:6.5
occ:1.00
FE1 A:SF4575 0.0 6.5 1.0
SG A:CYS434 2.2 2.8 1.0
S4 A:SF4575 2.2 5.1 1.0
S3 A:SF4575 2.2 6.6 1.0
S2 A:SF4575 2.3 3.4 1.0
FE4 A:SF4575 2.7 5.8 1.0
FE2 A:SF4575 2.7 5.5 1.0
FE3 A:SF4575 2.8 6.7 1.0
CB A:CYS434 3.2 3.5 1.0
N A:GLY478 3.8 3.6 1.0
N A:SER436 3.9 5.3 1.0
S1 A:SF4575 3.9 6.6 1.0
CA A:GLY478 4.0 2.9 1.0
CA A:SER436 4.1 6.5 1.0
CB A:SER436 4.3 4.5 1.0
N A:CYS479 4.3 4.5 1.0
CB A:CYS483 4.3 2.0 1.0
CA A:CYS434 4.5 2.0 1.0
SG A:CYS483 4.5 2.6 1.0
N A:VAL435 4.5 3.9 1.0
C A:CYS434 4.6 2.8 1.0
C A:GLY478 4.6 5.9 1.0
OG1 A:THR477 4.8 4.5 1.0
C A:VAL435 4.9 6.0 1.0
SG A:CYS440 4.9 3.5 1.0
SG A:CYS479 4.9 4.3 1.0
OG A:SER436 5.0 7.0 1.0
C A:THR477 5.0 2.0 1.0

Iron binding site 2 out of 5 in 8gep

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Iron binding site 2 out of 5 in the Sulfite Reductase Hemoprotein Nitrate 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 Nitrate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:5.5
occ:1.00
FE2 A:SF4575 0.0 5.5 1.0
SG A:CYS440 2.2 3.5 1.0
S1 A:SF4575 2.3 6.6 1.0
S4 A:SF4575 2.3 5.1 1.0
S3 A:SF4575 2.3 6.6 1.0
FE3 A:SF4575 2.6 6.7 1.0
FE1 A:SF4575 2.7 6.5 1.0
FE4 A:SF4575 2.8 5.8 1.0
CB A:CYS440 3.1 8.6 1.0
S2 A:SF4575 3.8 3.4 1.0
N A:ALA443 4.2 9.5 1.0
C3A A:SRM580 4.3 4.5 1.0
CA A:SER436 4.3 6.5 1.0
N A:SER436 4.4 5.3 1.0
CB A:LEU442 4.4 8.6 1.0
SG A:CYS479 4.5 4.3 1.0
CA A:ALA443 4.5 11.2 1.0
CA A:CYS440 4.6 6.9 1.0
C A:LEU442 4.6 8.5 1.0
CDA A:SRM580 4.6 2.0 1.0
CB A:ALA443 4.6 10.1 1.0
CBA A:SRM580 4.6 7.8 1.0
CAA A:SRM580 4.7 5.1 1.0
C4A A:SRM580 4.8 4.4 1.0
SG A:CYS434 4.8 2.8 1.0
N A:LEU442 4.8 9.4 1.0
C2A A:SRM580 4.9 5.4 1.0
CA A:LEU442 4.9 8.5 1.0
SG A:CYS483 5.0 2.6 1.0

Iron binding site 3 out of 5 in 8gep

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Iron binding site 3 out of 5 in the Sulfite Reductase Hemoprotein Nitrate 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 Nitrate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:6.7
occ:1.00
FE3 A:SF4575 0.0 6.7 1.0
S2 A:SF4575 2.2 3.4 1.0
SG A:CYS479 2.2 4.3 1.0
S1 A:SF4575 2.3 6.6 1.0
S4 A:SF4575 2.3 5.1 1.0
FE2 A:SF4575 2.6 5.5 1.0
FE4 A:SF4575 2.7 5.8 1.0
FE1 A:SF4575 2.8 6.5 1.0
CB A:CYS479 3.3 4.4 1.0
N A:CYS479 3.4 4.5 1.0
CA A:CYS479 3.8 6.1 1.0
S3 A:SF4575 3.8 6.6 1.0
O A:CYS479 4.1 5.6 1.0
CB A:ASN481 4.1 2.0 1.0
C A:CYS479 4.2 7.1 1.0
ND2 A:ASN481 4.2 4.3 1.0
C A:GLY478 4.3 5.9 1.0
SG A:CYS440 4.5 3.5 1.0
O A:LEU442 4.6 7.5 1.0
CG A:ASN481 4.6 2.0 1.0
CB A:LEU442 4.6 8.6 1.0
CA A:GLY478 4.6 2.9 1.0
N A:ASN481 4.6 6.2 1.0
SG A:CYS483 4.6 2.6 1.0
C A:LEU442 4.7 8.5 1.0
SG A:CYS434 4.7 2.8 1.0
CA A:ALA443 4.7 11.2 1.0
N A:ALA443 4.8 9.5 1.0
N A:GLY478 4.9 3.6 1.0
CA A:ASN481 4.9 4.0 1.0

Iron binding site 4 out of 5 in 8gep

Go back to Iron Binding Sites List in 8gep
Iron binding site 4 out of 5 in the Sulfite Reductase Hemoprotein Nitrate 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 Nitrate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:5.8
occ:1.00
FE4 A:SF4575 0.0 5.8 1.0
SG A:CYS483 2.2 2.6 1.0
S1 A:SF4575 2.2 6.6 1.0
S3 A:SF4575 2.3 6.6 1.0
S2 A:SF4575 2.3 3.4 1.0
FE3 A:SF4575 2.7 6.7 1.0
FE1 A:SF4575 2.7 6.5 1.0
FE2 A:SF4575 2.8 5.5 1.0
CB A:CYS483 3.1 2.0 1.0
C4A A:SRM580 3.9 4.4 1.0
S4 A:SF4575 3.9 5.1 1.0
NA A:SRM580 4.0 3.0 1.0
N A:CYS483 4.2 3.7 1.0
C1A A:SRM580 4.2 4.2 1.0
CHB A:SRM580 4.2 2.0 1.0
C3A A:SRM580 4.3 4.5 1.0
CA A:CYS483 4.3 3.0 1.0
ND A:SRM580 4.3 3.1 1.0
FE A:SRM580 4.3 3.0 1.0
CB A:ASN481 4.4 2.0 1.0
C4D A:SRM580 4.5 6.7 1.0
CHA A:SRM580 4.6 4.8 1.0
SG A:CYS434 4.6 2.8 1.0
SG A:CYS479 4.6 4.3 1.0
SG A:CYS440 4.6 3.5 1.0
CB A:CYS434 4.7 3.5 1.0
NB A:SRM580 4.7 4.1 1.0
C2A A:SRM580 4.7 5.4 1.0
C1B A:SRM580 4.7 6.0 1.0
ND2 A:ASN481 4.9 4.3 1.0
C1D A:SRM580 4.9 5.4 1.0

Iron binding site 5 out of 5 in 8gep

Go back to Iron Binding Sites List in 8gep
Iron binding site 5 out of 5 in the Sulfite Reductase Hemoprotein Nitrate 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 Nitrate Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe580

b:3.0
occ:1.00
FE A:SRM580 0.0 3.0 1.0
NC A:SRM580 2.1 2.0 1.0
ND A:SRM580 2.1 3.1 1.0
NB A:SRM580 2.1 4.1 1.0
NA A:SRM580 2.1 3.0 1.0
SG A:CYS483 2.6 2.6 1.0
C4B A:SRM580 3.0 4.2 1.0
C1D A:SRM580 3.0 5.4 1.0
O3 A:NO3585 3.1 17.9 1.0
C4C A:SRM580 3.1 2.5 1.0
C1C A:SRM580 3.1 2.0 1.0
C1A A:SRM580 3.1 4.2 1.0
C1B A:SRM580 3.2 6.0 1.0
C4A A:SRM580 3.2 4.4 1.0
C4D A:SRM580 3.2 6.7 1.0
N A:NO3585 3.2 14.3 1.0
CHD A:SRM580 3.3 3.0 1.0
CHC A:SRM580 3.4 2.0 1.0
CHA A:SRM580 3.5 4.8 1.0
CHB A:SRM580 3.6 2.0 1.0
O2 A:NO3585 3.6 12.2 1.0
CB A:CYS483 3.6 2.0 1.0
O1 A:NO3585 3.9 15.3 1.0
C3B A:SRM580 4.1 9.4 1.0
C2C A:SRM580 4.2 2.9 1.0
C2D A:SRM580 4.2 6.4 1.0
C3C A:SRM580 4.3 2.0 1.0
CAB A:SRM580 4.3 11.9 1.0
C3D A:SRM580 4.3 8.6 1.0
FE4 A:SF4575 4.3 5.8 1.0
C2B A:SRM580 4.4 7.4 1.0
CA A:CYS483 4.4 3.0 1.0
C2A A:SRM580 4.5 5.4 1.0
C3A A:SRM580 4.5 4.5 1.0
NZ A:LYS215 4.7 2.0 1.0
NZ A:LYS217 4.9 2.1 1.0
CDB A:SRM580 4.9 7.4 1.0
CMA A:SRM580 5.0 7.4 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 Dec 13 18:50:36 2020

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