Iron in PDB 1aop: Sulfite Reductase Structure at 1.6 Angstrom Resolution

All present enzymatic activity of Sulfite Reductase Structure at 1.6 Angstrom Resolution:
1.8.1.2;

The structure of Sulfite Reductase Structure at 1.6 Angstrom Resolution, PDB code: 1aop 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 / 1.60
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 (%)	18.2 / 21.8

The structure of Sulfite Reductase Structure at 1.6 Angstrom Resolution also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Iron atom in the Sulfite Reductase Structure at 1.6 Angstrom Resolution (pdb code 1aop). 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 Structure at 1.6 Angstrom Resolution, PDB code: 1aop:
Jump to Iron binding site number: 1; 2; 3; 4; 5;

Iron binding site 1 out of 5 in the Sulfite Reductase Structure at 1.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sulfite Reductase Structure at 1.6 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:9.1 occ:1.00 FE1 A:SF4575 0.0 9.1 1.0 SG A:CYS434 2.2 9.6 1.0 S4 A:SF4575 2.3 11.4 1.0 S3 A:SF4575 2.3 10.9 1.0 S2 A:SF4575 2.4 9.8 1.0 FE4 A:SF4575 2.7 9.1 1.0 FE2 A:SF4575 2.8 9.9 1.0 FE3 A:SF4575 2.8 9.8 1.0 CB A:CYS434 3.2 8.1 1.0 N A:GLY478 3.7 9.1 1.0 S1 A:SF4575 3.9 11.0 1.0 N A:SER436 4.0 9.3 1.0 CA A:GLY478 4.1 8.9 1.0 CA A:SER436 4.2 10.0 1.0 CB A:SER436 4.4 9.7 1.0 CB A:CYS483 4.4 7.3 1.0 N A:CYS479 4.5 9.1 1.0 SG A:CYS483 4.5 8.3 1.0 OG1 A:THR477 4.5 11.2 1.0 CA A:CYS434 4.6 7.8 1.0 C A:GLY478 4.6 9.1 1.0 N A:VAL435 4.7 7.9 1.0 C A:CYS434 4.7 7.8 1.0 C A:THR477 4.8 8.8 1.0 SG A:CYS440 4.9 11.0 1.0 SG A:CYS479 4.9 10.1 1.0

Iron binding site 2 out of 5 in the Sulfite Reductase Structure at 1.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Sulfite Reductase Structure at 1.6 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:9.9 occ:1.00 FE2 A:SF4575 0.0 9.9 1.0 SG A:CYS440 2.2 11.0 1.0 S3 A:SF4575 2.3 10.9 1.0 S1 A:SF4575 2.3 11.0 1.0 S4 A:SF4575 2.4 11.4 1.0 FE4 A:SF4575 2.8 9.1 1.0 FE3 A:SF4575 2.8 9.8 1.0 FE1 A:SF4575 2.8 9.1 1.0 CB A:CYS440 3.2 10.7 1.0 S2 A:SF4575 4.0 9.8 1.0 C3A A:SRM580 4.2 8.9 1.0 CA A:SER436 4.4 10.0 1.0 N A:SER436 4.4 9.3 1.0 N A:ALA443 4.5 11.2 1.0 CBA A:SRM580 4.5 11.0 1.0 CA A:CYS440 4.6 11.6 1.0 CDA A:SRM580 4.6 11.3 1.0 CB A:LEU442 4.7 12.3 1.0 SG A:CYS479 4.7 10.1 1.0 C A:LEU442 4.8 10.9 1.0 C4A A:SRM580 4.8 8.5 1.0 CA A:ALA443 4.8 10.6 1.0 SG A:CYS483 4.8 8.3 1.0 SG A:CYS434 4.8 9.6 1.0 CAA A:SRM580 5.0 9.6 1.0 C2A A:SRM580 5.0 10.3 1.0 CB A:ALA443 5.0 10.2 1.0

Iron binding site 3 out of 5 in the Sulfite Reductase Structure at 1.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Sulfite Reductase Structure at 1.6 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:9.8 occ:1.00 FE3 A:SF4575 0.0 9.8 1.0 SG A:CYS479 2.2 10.1 1.0 S2 A:SF4575 2.3 9.8 1.0 S4 A:SF4575 2.3 11.4 1.0 S1 A:SF4575 2.4 11.0 1.0 FE2 A:SF4575 2.8 9.9 1.0 FE1 A:SF4575 2.8 9.1 1.0 FE4 A:SF4575 2.8 9.1 1.0 CB A:CYS479 3.3 8.2 1.0 N A:CYS479 3.6 9.1 1.0 CA A:CYS479 3.9 9.1 1.0 S3 A:SF4575 4.0 10.9 1.0 O A:CYS479 4.2 8.7 1.0 CB A:ASN481 4.2 9.3 1.0 C A:GLY478 4.2 9.1 1.0 C A:CYS479 4.3 8.6 1.0 ND2 A:ASN481 4.4 13.1 1.0 O A:LEU442 4.5 12.7 1.0 SG A:CYS440 4.6 11.0 1.0 CA A:GLY478 4.6 8.9 1.0 SG A:CYS483 4.7 8.3 1.0 C A:LEU442 4.7 10.9 1.0 N A:ASN481 4.8 8.9 1.0 CB A:LEU442 4.8 12.3 1.0 N A:GLY478 4.8 9.1 1.0 CG A:ASN481 4.8 12.4 1.0 SG A:CYS434 4.9 9.6 1.0 O A:GLY478 4.9 9.8 1.0 CA A:ALA443 4.9 10.6 1.0 N A:ALA443 4.9 11.2 1.0

Iron binding site 4 out of 5 in the Sulfite Reductase Structure at 1.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Sulfite Reductase Structure at 1.6 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe575 b:9.1 occ:1.00 FE4 A:SF4575 0.0 9.1 1.0 SG A:CYS483 2.2 8.3 1.0 S1 A:SF4575 2.2 11.0 1.0 S3 A:SF4575 2.3 10.9 1.0 S2 A:SF4575 2.4 9.8 1.0 FE1 A:SF4575 2.7 9.1 1.0 FE2 A:SF4575 2.8 9.9 1.0 FE3 A:SF4575 2.8 9.8 1.0 CB A:CYS483 3.1 7.3 1.0 S4 A:SF4575 3.9 11.4 1.0 NA A:SRM580 4.0 8.9 1.0 C4A A:SRM580 4.1 8.5 1.0 N A:CYS483 4.1 7.2 1.0 CA A:CYS483 4.2 6.7 1.0 C1A A:SRM580 4.4 8.7 1.0 C3A A:SRM580 4.4 8.9 1.0 CHB A:SRM580 4.4 8.2 1.0 FE A:SRM580 4.5 8.7 1.0 CB A:ASN481 4.5 9.3 1.0 ND A:SRM580 4.5 8.7 1.0 SG A:CYS434 4.6 9.6 1.0 CB A:CYS434 4.6 8.1 1.0 CHA A:SRM580 4.7 9.5 1.0 SG A:CYS479 4.7 10.1 1.0 SG A:CYS440 4.7 11.0 1.0 C4D A:SRM580 4.8 9.0 1.0 C1B A:SRM580 4.8 8.1 1.0 NB A:SRM580 4.8 7.6 1.0

Iron binding site 5 out of 5 in the Sulfite Reductase Structure at 1.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Sulfite Reductase Structure at 1.6 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe580 b:8.7 occ:1.00 FE A:SRM580 0.0 8.7 1.0 O1 A:PO4585 1.9 11.5 1.0 NB A:SRM580 2.1 7.6 1.0 ND A:SRM580 2.1 8.7 1.0 NC A:SRM580 2.1 7.7 1.0 NA A:SRM580 2.1 8.9 1.0 SG A:CYS483 2.8 8.3 1.0 C4B A:SRM580 3.0 8.2 1.0 C1C A:SRM580 3.1 7.5 1.0 C4D A:SRM580 3.1 9.0 1.0 C1D A:SRM580 3.1 8.7 1.0 C1A A:SRM580 3.1 8.7 1.0 C4C A:SRM580 3.1 8.0 1.0 C1B A:SRM580 3.1 8.1 1.0 C4A A:SRM580 3.1 8.5 1.0 P A:PO4585 3.2 11.7 1.0 CHC A:SRM580 3.4 7.6 1.0 CHA A:SRM580 3.4 9.5 1.0 O3 A:PO4585 3.4 11.6 1.0 CHD A:SRM580 3.4 9.0 1.0 CHB A:SRM580 3.5 8.2 1.0 CB A:CYS483 3.8 7.3 1.0 O2 A:PO4585 4.1 12.0 1.0 C2C A:SRM580 4.3 7.0 1.0 C3D A:SRM580 4.3 9.8 1.0 C3B A:SRM580 4.3 7.8 1.0 C2D A:SRM580 4.3 10.1 1.0 C3C A:SRM580 4.3 7.8 1.0 O4 A:PO4585 4.3 12.5 1.0 C2B A:SRM580 4.4 8.3 1.0 C2A A:SRM580 4.4 10.3 1.0 C3A A:SRM580 4.4 8.9 1.0 FE4 A:SF4575 4.5 9.1 1.0 NZ A:LYS215 4.5 14.3 1.0 CAB A:SRM580 4.7 9.1 1.0 CA A:CYS483 4.7 6.7 1.0 NH2 A:ARG83 4.8 28.9 1.0 NZ A:LYS217 4.9 8.1 1.0 CMA A:SRM580 4.9 9.7 1.0

B.R.Crane, L.M.Siegel, E.D.Getzoff. Sulfite Reductase Structure at 1.6 A: Evolution and Catalysis For Reduction of Inorganic Anions. Science V. 270 59 1995.
ISSN: ISSN 0036-8075
PubMed: 7569952