Iron in PDB 1izo: Cytochrome P450 Bs Beta Complexed with Fatty Acid

The structure of Cytochrome P450 Bs Beta Complexed with Fatty Acid, PDB code: 1izo was solved by D.S.Lee, A.Yamada, H.Sugimoto, I.Matsunaga, H.Ogura, K.Ichihara, S.Adachi, S.Y.Park, Y.Shiro, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	155.789, 155.789, 111.904, 90.00, 90.00, 120.00
R / Rfree (%)	24.6 / 28

The binding sites of Iron atom in the Cytochrome P450 Bs Beta Complexed with Fatty Acid (pdb code 1izo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Cytochrome P450 Bs Beta Complexed with Fatty Acid, PDB code: 1izo:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Cytochrome P450 Bs Beta Complexed with Fatty Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 Bs Beta Complexed with Fatty Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:25.4 occ:1.00 FE A:HEM501 0.0 25.4 1.0 ND A:HEM501 1.9 20.4 1.0 NB A:HEM501 1.9 26.8 1.0 O A:HOH631 2.0 33.9 1.0 NA A:HEM501 2.1 29.2 1.0 NC A:HEM501 2.2 24.8 1.0 SG A:CYS363 2.3 28.8 1.0 C4D A:HEM501 3.0 28.2 1.0 C4B A:HEM501 3.0 25.6 1.0 C1B A:HEM501 3.0 25.9 1.0 C1D A:HEM501 3.1 26.8 1.0 C1C A:HEM501 3.1 19.2 1.0 C1A A:HEM501 3.1 22.5 1.0 C4A A:HEM501 3.1 25.5 1.0 C4C A:HEM501 3.3 24.0 1.0 CB A:CYS363 3.3 27.3 1.0 CHA A:HEM501 3.5 19.2 1.0 CHC A:HEM501 3.5 24.3 1.0 CHB A:HEM501 3.5 25.9 1.0 CHD A:HEM501 3.7 27.0 1.0 CA A:CYS363 4.2 27.4 1.0 C3D A:HEM501 4.2 25.2 1.0 C2B A:HEM501 4.2 21.4 1.0 C3B A:HEM501 4.2 26.8 1.0 C2D A:HEM501 4.2 19.6 1.0 C3A A:HEM501 4.4 22.1 1.0 C2A A:HEM501 4.4 24.0 1.0 C2C A:HEM501 4.4 26.4 1.0 NE2 A:GLN352 4.4 21.2 1.0 C3C A:HEM501 4.5 21.2 1.0 C A:CYS363 5.0 28.0 1.0

Iron binding site 2 out of 3 in the Cytochrome P450 Bs Beta Complexed with Fatty Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450 Bs Beta Complexed with Fatty Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:36.2 occ:1.00 FE B:HEM501 0.0 36.2 1.0 O B:HOH1677 2.0 42.4 1.0 ND B:HEM501 2.0 34.4 1.0 NB B:HEM501 2.1 44.0 1.0 NC B:HEM501 2.1 35.3 1.0 NA B:HEM501 2.2 49.1 1.0 SG B:CYS363 2.3 37.6 1.0 CB B:CYS363 3.0 39.5 1.0 C4D B:HEM501 3.1 40.0 1.0 C1D B:HEM501 3.1 38.0 1.0 C1C B:HEM501 3.1 29.6 1.0 C4B B:HEM501 3.1 40.0 1.0 C4C B:HEM501 3.2 32.5 1.0 C1A B:HEM501 3.2 41.2 1.0 C1B B:HEM501 3.2 43.8 1.0 C4A B:HEM501 3.2 45.4 1.0 CHC B:HEM501 3.5 38.8 1.0 CHA B:HEM501 3.6 36.1 1.0 CHD B:HEM501 3.6 30.7 1.0 CHB B:HEM501 3.6 45.6 1.0 CA B:CYS363 4.0 39.5 1.0 C2D B:HEM501 4.3 33.9 1.0 C3D B:HEM501 4.3 40.2 1.0 C2C B:HEM501 4.3 37.9 1.0 C3B B:HEM501 4.4 40.8 1.0 C3C B:HEM501 4.4 38.4 1.0 NE2 B:GLN352 4.4 38.4 1.0 C2B B:HEM501 4.4 39.2 1.0 C2A B:HEM501 4.5 45.9 1.0 C3A B:HEM501 4.5 44.6 1.0 C B:CYS363 4.8 38.3 1.0 O B:HOH1654 4.8 45.4 1.0 CB B:GLN352 4.9 37.4 1.0 CD B:PRO364 4.9 30.9 1.0 N B:GLY365 4.9 39.5 1.0

Iron binding site 3 out of 3 in the Cytochrome P450 Bs Beta Complexed with Fatty Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cytochrome P450 Bs Beta Complexed with Fatty Acid within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:50.0 occ:1.00 FE C:HEM501 0.0 50.0 1.0 NB C:HEM501 2.0 37.4 1.0 ND C:HEM501 2.0 36.5 1.0 NA C:HEM501 2.1 42.5 1.0 NC C:HEM501 2.1 37.9 1.0 SG C:CYS363 2.4 57.9 1.0 C1B C:HEM501 3.0 41.3 1.0 C4A C:HEM501 3.1 43.7 1.0 C4D C:HEM501 3.1 36.3 1.0 C4B C:HEM501 3.1 40.2 1.0 C1D C:HEM501 3.1 37.5 1.0 C1A C:HEM501 3.1 40.9 1.0 C1C C:HEM501 3.1 41.4 1.0 C4C C:HEM501 3.2 39.5 1.0 CB C:CYS363 3.3 55.9 1.0 CHB C:HEM501 3.4 42.2 1.0 CHA C:HEM501 3.5 39.2 1.0 CHC C:HEM501 3.6 41.6 1.0 CHD C:HEM501 3.6 41.1 1.0 CA C:CYS363 4.2 55.4 1.0 C2B C:HEM501 4.3 38.8 1.0 C3D C:HEM501 4.3 39.7 1.0 C2D C:HEM501 4.3 33.8 1.0 C3B C:HEM501 4.3 41.5 1.0 C3A C:HEM501 4.3 39.0 1.0 C2A C:HEM501 4.4 41.6 1.0 NE2 C:GLN352 4.4 55.8 1.0 C2C C:HEM501 4.4 42.5 1.0 C3C C:HEM501 4.5 39.7 1.0 C C:CYS363 5.0 56.4 1.0

D.S.Lee, A.Yamada, H.Sugimoto, I.Matsunaga, H.Ogura, K.Ichihara, S.Adachi, S.Y.Park, Y.Shiro. Substrate Recognition and Molecular Mechanism of Fatty Acid Hydroxylation By Cytochrome P450 From Bacillus Subtilis. Crystallographic, Spectroscopic, and Mutational Studies. J.Biol.Chem. V. 278 9761 2003.
ISSN: ISSN 0021-9258
PubMed: 12519760
DOI: 10.1074/JBC.M211575200