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Iron in PDB 2gep: Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex

Enzymatic activity of Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex

All present enzymatic activity of Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex:
1.8.1.2;

Protein crystallography data

The structure of Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex, PDB code: 2gep 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 / 1.90
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 2gep:

The structure of Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex also contains other interesting chemical elements:

Sodium (Na) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex (pdb code 2gep). 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, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex, PDB code: 2gep:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in 2gep

Go back to Iron Binding Sites List in 2gep
Iron binding site 1 out of 5 in the Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite 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, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:12.7
occ:1.00
 FE1 A:SF4575 0.0 12.7 1.0
S4 A:SF4575 2.2 13.6 1.0
S3 A:SF4575 2.2 13.1 1.0
SG A:CYS434 2.3 13.4 1.0
S2 A:SF4575 2.3 12.2 1.0
FE4 A:SF4575 2.6 13.7 1.0
FE2 A:SF4575 2.7 12.9 1.0
FE3 A:SF4575 2.7 14.3 1.0
CB A:CYS434 3.3 11.0 1.0
N A:GLY478 3.7 12.5 1.0
S1 A:SF4575 3.8 14.4 1.0
CA A:GLY478 4.0 13.1 1.0
N A:SER436 4.0 14.6 1.0
CA A:SER436 4.2 13.6 1.0
CB A:CYS483 4.3 11.7 1.0
N A:CYS479 4.3 12.0 1.0
SG A:CYS483 4.4 13.4 1.0
CB A:SER436 4.5 13.8 1.0
C A:GLY478 4.5 13.3 1.0
OG1 A:THR477 4.5 12.1 1.0
CA A:CYS434 4.6 9.8 1.0
N A:VAL435 4.7 11.0 1.0
SG A:CYS479 4.8 13.3 1.0
C A:CYS434 4.8 10.7 1.0
SG A:CYS440 4.8 14.8 1.0
C A:THR477 4.8 12.8 1.0

Iron binding site 2 out of 5 in 2gep

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Iron binding site 2 out of 5 in the Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite 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, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:12.9
occ:1.00
 FE2 A:SF4575 0.0 12.9 1.0
S4 A:SF4575 2.2 13.6 1.0
SG A:CYS440 2.2 14.8 1.0
S3 A:SF4575 2.3 13.1 1.0
S1 A:SF4575 2.3 14.4 1.0
FE3 A:SF4575 2.7 14.3 1.0
FE1 A:SF4575 2.7 12.7 1.0
FE4 A:SF4575 2.7 13.7 1.0
CB A:CYS440 3.2 13.1 1.0
S2 A:SF4575 3.8 12.2 1.0
C3A A:SRM580 4.2 9.9 1.0
CBA A:SRM580 4.4 11.4 1.0
CA A:SER436 4.4 13.6 1.0
N A:ALA443 4.5 15.0 1.0
SG A:CYS479 4.5 13.3 1.0
N A:SER436 4.5 14.6 1.0
CA A:CYS440 4.6 14.8 1.0
CDA A:SRM580 4.6 13.8 1.0
CB A:LEU442 4.6 11.3 1.0
C A:LEU442 4.7 13.3 1.0
C4A A:SRM580 4.7 12.6 1.0
CA A:ALA443 4.7 14.1 1.0
SG A:CYS434 4.8 13.4 1.0
SG A:CYS483 4.8 13.4 1.0
CB A:ALA443 4.9 11.8 1.0
CAA A:SRM580 4.9 10.8 1.0
N A:LEU442 5.0 16.5 1.0

Iron binding site 3 out of 5 in 2gep

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Iron binding site 3 out of 5 in the Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite 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, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:14.3
occ:1.00
 FE3 A:SF4575 0.0 14.3 1.0
SG A:CYS479 2.1 13.3 1.0
S2 A:SF4575 2.2 12.2 1.0
S4 A:SF4575 2.3 13.6 1.0
S1 A:SF4575 2.3 14.4 1.0
FE2 A:SF4575 2.7 12.9 1.0
FE4 A:SF4575 2.7 13.7 1.0
FE1 A:SF4575 2.7 12.7 1.0
CB A:CYS479 3.2 12.0 1.0
N A:CYS479 3.5 12.0 1.0
CA A:CYS479 3.8 14.5 1.0
S3 A:SF4575 3.9 13.1 1.0
O A:CYS479 4.0 14.3 1.0
CB A:ASN481 4.2 11.8 1.0
C A:GLY478 4.2 13.3 1.0
C A:CYS479 4.2 15.3 1.0
ND2 A:ASN481 4.3 13.6 1.0
SG A:CYS440 4.5 14.8 1.0
O A:LEU442 4.5 14.6 1.0
SG A:CYS483 4.6 13.4 1.0
CA A:GLY478 4.6 13.1 1.0
C A:LEU442 4.7 13.3 1.0
CB A:LEU442 4.7 11.3 1.0
CG A:ASN481 4.8 15.7 1.0
N A:ASN481 4.8 13.5 1.0
N A:GLY478 4.8 12.5 1.0
SG A:CYS434 4.8 13.4 1.0
O A:GLY478 4.9 15.2 1.0
N A:ALA443 4.9 15.0 1.0
CA A:ALA443 4.9 14.1 1.0

Iron binding site 4 out of 5 in 2gep

Go back to Iron Binding Sites List in 2gep
Iron binding site 4 out of 5 in the Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite 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, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe575

b:13.7
occ:1.00
 FE4 A:SF4575 0.0 13.7 1.0
S1 A:SF4575 2.2 14.4 1.0
SG A:CYS483 2.2 13.4 1.0
S2 A:SF4575 2.3 12.2 1.0
S3 A:SF4575 2.3 13.1 1.0
FE1 A:SF4575 2.6 12.7 1.0
FE2 A:SF4575 2.7 12.9 1.0
FE3 A:SF4575 2.7 14.3 1.0
CB A:CYS483 3.1 11.7 1.0
S4 A:SF4575 3.8 13.6 1.0
NA A:SRM580 3.8 12.3 1.0
C4A A:SRM580 3.9 12.6 1.0
N A:CYS483 4.1 10.1 1.0
FE A:SRM580 4.2 10.7 1.0
C3A A:SRM580 4.3 9.9 1.0
CA A:CYS483 4.3 9.5 1.0
C1A A:SRM580 4.3 14.0 1.0
CHB A:SRM580 4.3 12.1 1.0
ND A:SRM580 4.4 13.8 1.0
SG A:CYS434 4.5 13.4 1.0
CB A:ASN481 4.5 11.8 1.0
SG A:CYS479 4.5 13.3 1.0
CHA A:SRM580 4.6 12.3 1.0
C4D A:SRM580 4.6 13.4 1.0
CB A:CYS434 4.6 11.0 1.0
SG A:CYS440 4.6 14.8 1.0
C1B A:SRM580 4.7 13.3 1.0
NB A:SRM580 4.8 13.2 1.0
C2A A:SRM580 5.0 13.2 1.0

Iron binding site 5 out of 5 in 2gep

Go back to Iron Binding Sites List in 2gep
Iron binding site 5 out of 5 in the Sulfite Reductase Hemoprotein, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite 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, Oxidized, Siroheme Feiii [4FE-4S] +2, Sulfite Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe580

b:10.7
occ:1.00
 FE A:SRM580 0.0 10.7 1.0
ND A:SRM580 2.0 13.8 1.0
NB A:SRM580 2.0 13.2 1.0
NA A:SRM580 2.1 12.3 1.0
NC A:SRM580 2.1 10.7 1.0
S A:SO3585 2.2 21.0 1.0
SG A:CYS483 2.4 13.4 1.0
O2 A:SO3585 2.8 24.8 1.0
C1D A:SRM580 3.0 12.7 1.0
O1 A:SO3585 3.0 25.6 1.0
C1C A:SRM580 3.0 12.6 1.0
C4A A:SRM580 3.0 12.6 1.0
C4C A:SRM580 3.0 12.3 1.0
C4B A:SRM580 3.1 13.2 1.0
C1B A:SRM580 3.1 13.3 1.0
C4D A:SRM580 3.1 13.4 1.0
C1A A:SRM580 3.1 14.0 1.0
CHD A:SRM580 3.3 12.2 1.0
CHB A:SRM580 3.4 12.1 1.0
CHC A:SRM580 3.4 10.8 1.0
CB A:CYS483 3.4 11.7 1.0
O3 A:SO3585 3.5 26.2 1.0
CHA A:SRM580 3.5 12.3 1.0
FE4 A:SF4575 4.2 13.7 1.0
C2C A:SRM580 4.2 12.6 1.0
C3D A:SRM580 4.2 13.8 1.0
C2D A:SRM580 4.3 13.9 1.0
CA A:CYS483 4.3 9.5 1.0
C3B A:SRM580 4.3 11.3 1.0
C3A A:SRM580 4.3 9.9 1.0
C2B A:SRM580 4.3 14.6 1.0
C3C A:SRM580 4.3 10.6 1.0
C2A A:SRM580 4.4 13.2 1.0
NZ A:LYS215 4.7 21.1 1.0
CAB A:SRM580 4.7 9.6 1.0
N A:CYS483 4.9 10.1 1.0
NZ A:LYS217 4.9 5.9 1.0
CMA A:SRM580 4.9 12.6 1.0
NH2 A:ARG83 5.0 27.5 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: Sat Aug 3 22:30:03 2024

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