Iron in PDB 1e6e: Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems

All present enzymatic activity of Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems:
1.18.1.2; 1.18.1.6;

The structure of Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems, PDB code: 1e6e was solved by J.J.Mueller, A.Lapko, G.Bourenkov, K.Ruckpaul, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.97 / 2.30
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.210, 92.210, 607.850, 90.00, 90.00, 120.00
R / Rfree (%)	22.2 / 26.8

The binding sites of Iron atom in the Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems (pdb code 1e6e). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems, PDB code: 1e6e:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe129 b:27.1 occ:1.00 FE1 B:FES129 0.0 27.1 1.0 SG B:CYS46 2.2 22.8 1.0 S1 B:FES129 2.2 26.2 1.0 S2 B:FES129 2.3 25.3 1.0 SG B:CYS52 2.3 26.9 1.0 FE2 B:FES129 2.7 29.6 1.0 CB B:CYS46 3.5 26.4 1.0 CB B:CYS52 3.6 28.1 1.0 N B:CYS52 3.7 30.9 1.0 N B:CYS46 3.9 27.9 1.0 CA B:CYS52 4.0 30.0 1.0 N B:GLY48 4.0 28.8 1.0 C B:CYS52 4.1 31.5 1.0 CA B:CYS46 4.1 27.0 1.0 N B:ALA51 4.2 33.1 1.0 O B:CYS52 4.2 33.6 1.0 N B:THR49 4.2 30.5 1.0 CA B:GLY48 4.3 29.2 1.0 N B:LEU50 4.4 31.5 1.0 C B:CYS46 4.4 27.8 1.0 SG B:CYS55 4.5 28.3 1.0 N B:GLU47 4.5 27.5 1.0 SG B:CYS92 4.6 29.3 1.0 N B:SER53 4.7 30.8 1.0 C B:ALA51 4.7 32.3 1.0 OG1 B:THR54 4.7 27.9 1.0 C B:GLY48 4.8 30.3 1.0 N B:ALA45 4.8 29.3 1.0 CA B:LEU50 4.8 32.8 1.0 CA B:ALA51 5.0 32.8 1.0 CA B:GLY44 5.0 30.4 1.0

Iron binding site 2 out of 4 in the Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe129 b:29.6 occ:1.00 FE2 B:FES129 0.0 29.6 1.0 S2 B:FES129 2.2 25.3 1.0 SG B:CYS55 2.2 28.3 1.0 S1 B:FES129 2.2 26.2 1.0 SG B:CYS92 2.3 29.3 1.0 FE1 B:FES129 2.7 27.1 1.0 CB B:CYS55 3.3 27.9 1.0 CB B:CYS92 3.4 31.7 1.0 CA B:GLY48 3.9 29.2 1.0 N B:CYS92 4.3 33.4 1.0 N B:GLY48 4.3 28.8 1.0 SG B:CYS46 4.4 22.8 1.0 CA B:CYS92 4.4 33.4 1.0 SG B:CYS52 4.5 26.9 1.0 CA B:CYS55 4.5 28.5 1.0 N B:CYS55 4.6 29.3 1.0 CB B:LEU90 4.6 32.1 1.0 C B:GLY48 4.7 30.3 1.0 N B:THR49 4.8 30.5 1.0 N B:LEU50 4.9 31.5 1.0 CD1 B:LEU90 4.9 31.9 1.0 CD2 B:LEU90 4.9 30.3 1.0

Iron binding site 3 out of 4 in the Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe129 b:20.2 occ:1.00 FE1 D:FES129 0.0 20.2 1.0 SG D:CYS46 2.2 17.6 1.0 S2 D:FES129 2.2 20.2 1.0 S1 D:FES129 2.3 22.6 1.0 SG D:CYS52 2.3 20.4 1.0 FE2 D:FES129 2.8 22.8 1.0 CB D:CYS46 3.4 21.2 1.0 CB D:CYS52 3.6 20.6 1.0 N D:CYS52 3.8 22.8 1.0 N D:CYS46 3.8 22.4 1.0 N D:GLY48 4.0 26.8 1.0 CA D:CYS46 4.0 22.6 1.0 CA D:CYS52 4.0 23.3 1.0 C D:CYS52 4.2 25.6 1.0 N D:ALA51 4.2 23.4 1.0 N D:THR49 4.3 27.7 1.0 C D:CYS46 4.3 24.1 1.0 N D:LEU50 4.3 25.4 1.0 O D:CYS52 4.4 27.8 1.0 N D:GLU47 4.4 25.4 1.0 CA D:GLY48 4.4 26.9 1.0 SG D:CYS55 4.5 25.3 1.0 OG1 D:THR54 4.5 25.0 1.0 SG D:CYS92 4.6 22.9 1.0 N D:SER53 4.6 27.6 1.0 C D:ALA51 4.7 22.5 1.0 CA D:LEU50 4.7 24.2 1.0 N D:ALA45 4.8 23.5 1.0 C D:GLY48 4.8 28.0 1.0 O D:CYS46 4.9 23.4 1.0 C D:LEU50 5.0 23.8 1.0 C D:GLY44 5.0 23.0 1.0

Iron binding site 4 out of 4 in the Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Adrenodoxin Reductase/Adrenodoxin Complex of Mitochondrial P450 Systems within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe129 b:22.8 occ:1.00 FE2 D:FES129 0.0 22.8 1.0 S2 D:FES129 2.2 20.2 1.0 S1 D:FES129 2.2 22.6 1.0 SG D:CYS55 2.2 25.3 1.0 SG D:CYS92 2.3 22.9 1.0 FE1 D:FES129 2.8 20.2 1.0 CB D:CYS92 3.3 22.4 1.0 CB D:CYS55 3.3 24.9 1.0 CA D:GLY48 4.0 26.9 1.0 N D:CYS92 4.3 23.2 1.0 N D:GLY48 4.3 26.8 1.0 SG D:CYS52 4.3 20.4 1.0 CA D:CYS92 4.4 23.5 1.0 N D:CYS55 4.5 26.2 1.0 CA D:CYS55 4.5 25.9 1.0 SG D:CYS46 4.5 17.6 1.0 CB D:LEU90 4.6 25.4 1.0 C D:GLY48 4.7 28.0 1.0 N D:THR49 4.8 27.7 1.0 N D:LEU50 4.8 25.4 1.0 CD1 D:LEU90 5.0 21.4 1.0

J.J.Mueller, A.Lapko, G.Bourenkov, K.Ruckpaul, U.Heinemann. Adrenodoxin Reductase-Adrenodoxin Complex Structure Suggests Electron Transfer Path in Steroid Biosynthesis. J.Biol.Chem. V. 276 2786 2001.
ISSN: ISSN 0021-9258
PubMed: 11053423
DOI: 10.1074/JBC.M008501200