Iron in PDB 6j79: Fusion Protein of Heme Oxygenase-1 and Nadph-Cytochrome P450 Reductase (13AA)

All present enzymatic activity of Fusion Protein of Heme Oxygenase-1 and Nadph-Cytochrome P450 Reductase (13AA):
1.14.14.18; 1.6.2.4;

The structure of Fusion Protein of Heme Oxygenase-1 and Nadph-Cytochrome P450 Reductase (13AA), PDB code: 6j79 was solved by M.Sugishima, K.Wada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.67 / 3.33
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.360, 159.780, 189.590, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 24.9

The binding sites of Iron atom in the Fusion Protein of Heme Oxygenase-1 and Nadph-Cytochrome P450 Reductase (13AA) (pdb code 6j79). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Fusion Protein of Heme Oxygenase-1 and Nadph-Cytochrome P450 Reductase (13AA), PDB code: 6j79:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Fusion Protein of Heme Oxygenase-1 and Nadph-Cytochrome P450 Reductase (13AA)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fusion Protein of Heme Oxygenase-1 and Nadph-Cytochrome P450 Reductase (13AA) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe903 b:87.3 occ:1.00 FE A:HEM903 0.0 87.3 1.0 ND A:HEM903 1.9 78.4 1.0 NE2 A:HIS25 1.9 97.8 1.0 O A:HOH1001 1.9 92.8 1.0 NA A:HEM903 2.0 94.0 1.0 NC A:HEM903 2.1 94.0 1.0 NB A:HEM903 2.1 0.3 1.0 CE1 A:HIS25 2.8 92.5 1.0 C1D A:HEM903 2.9 80.2 1.0 C4D A:HEM903 2.9 86.8 1.0 CD2 A:HIS25 2.9 85.2 1.0 C1A A:HEM903 3.0 95.2 1.0 C4C A:HEM903 3.0 88.3 1.0 C4B A:HEM903 3.1 0.4 1.0 C4A A:HEM903 3.1 0.3 1.0 C1C A:HEM903 3.1 0.9 1.0 C1B A:HEM903 3.1 0.6 1.0 CHD A:HEM903 3.3 76.5 1.0 CHA A:HEM903 3.4 91.3 1.0 CHC A:HEM903 3.5 0.1 1.0 CHB A:HEM903 3.5 0.2 1.0 ND1 A:HIS25 3.9 88.4 1.0 CG A:HIS25 4.0 85.7 1.0 C2D A:HEM903 4.1 93.9 1.0 C3D A:HEM903 4.1 94.6 1.0 C2A A:HEM903 4.2 0.6 1.0 C3A A:HEM903 4.3 0.9 1.0 C3C A:HEM903 4.3 0.5 1.0 C2C A:HEM903 4.3 0.0 1.0 C2B A:HEM903 4.3 0.6 1.0 C3B A:HEM903 4.3 0.2 1.0 CB A:SER142 5.0 0.8 1.0

Iron binding site 2 out of 2 in the Fusion Protein of Heme Oxygenase-1 and Nadph-Cytochrome P450 Reductase (13AA)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fusion Protein of Heme Oxygenase-1 and Nadph-Cytochrome P450 Reductase (13AA) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe903 b:0.2 occ:1.00 FE B:HEM903 0.0 0.2 1.0 ND B:HEM903 1.9 92.4 1.0 NE2 B:HIS25 1.9 82.6 1.0 O B:HOH1001 1.9 0.4 1.0 NA B:HEM903 2.0 0.9 1.0 NC B:HEM903 2.1 93.0 1.0 NB B:HEM903 2.1 0.0 1.0 CE1 B:HIS25 2.7 77.5 1.0 C1D B:HEM903 2.9 91.4 1.0 C4D B:HEM903 2.9 0.7 1.0 C1A B:HEM903 3.0 0.2 1.0 CD2 B:HIS25 3.0 69.0 1.0 C4C B:HEM903 3.0 0.7 1.0 C4B B:HEM903 3.1 1.0 1.0 C4A B:HEM903 3.1 0.3 1.0 C1C B:HEM903 3.1 95.9 1.0 C1B B:HEM903 3.1 0.9 1.0 CHD B:HEM903 3.3 97.4 1.0 CHA B:HEM903 3.4 0.1 1.0 CHC B:HEM903 3.5 0.1 1.0 CHB B:HEM903 3.5 0.0 1.0 ND1 B:HIS25 3.9 76.9 1.0 CG B:HIS25 4.1 72.5 1.0 C2D B:HEM903 4.1 89.5 1.0 C3D B:HEM903 4.1 96.8 1.0 C2A B:HEM903 4.2 0.3 1.0 C3C B:HEM903 4.3 0.4 1.0 C3A B:HEM903 4.3 0.1 1.0 C2C B:HEM903 4.3 0.1 1.0 C2B B:HEM903 4.3 0.6 1.0 C3B B:HEM903 4.3 0.6 1.0

M.Sugishima, H.Sato, K.Wada, K.Yamamoto. Crystal Structure of A Nadph-Cytochrome P450 Oxidoreductase (Cypor) and Heme Oxygenase 1 Fusion Protein Implies A Conformational Change in Cypor Upon Nadph/Nadp+Binding. Febs Lett. V. 593 868 2019.
ISSN: ISSN 0014-5793
PubMed: 30883732
DOI: 10.1002/1873-3468.13360