Iron in PDB 8gep: Sulfite Reductase Hemoprotein Nitrate Complex

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

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

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

Potassium

(K)

1 atom

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 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 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 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 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 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

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