Iron in PDB 1fag: Structure of Cytochrome P450

All present enzymatic activity of Structure of Cytochrome P450:
1.14.14.1;

The structure of Structure of Cytochrome P450, PDB code: 1fag was solved by H.Y.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	106.200, 165.200, 223.900, 90.00, 90.00, 90.00
R / Rfree (%)	24.6 / 35.3

The binding sites of Iron atom in the Structure of Cytochrome P450 (pdb code 1fag). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Cytochrome P450, PDB code: 1fag:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of Cytochrome P450


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Cytochrome P450 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe472 b:38.5 occ:1.00 FE A:HEM472 0.0 38.5 1.0 NA A:HEM472 2.0 30.2 1.0 NC A:HEM472 2.0 28.9 1.0 ND A:HEM472 2.0 30.7 1.0 NB A:HEM472 2.0 41.0 1.0 SG A:CYS400 2.2 34.8 1.0 C4A A:HEM472 3.0 30.8 1.0 C1C A:HEM472 3.0 38.5 1.0 C4D A:HEM472 3.0 32.2 1.0 C1D A:HEM472 3.0 25.6 1.0 C1A A:HEM472 3.0 31.5 1.0 C4C A:HEM472 3.0 23.3 1.0 C4B A:HEM472 3.1 44.3 1.0 C1B A:HEM472 3.1 35.8 1.0 CHC A:HEM472 3.4 37.9 1.0 CHD A:HEM472 3.4 24.9 1.0 CHA A:HEM472 3.4 30.2 1.0 CHB A:HEM472 3.4 29.2 1.0 CB A:CYS400 3.5 31.1 1.0 CA A:CYS400 3.9 35.2 1.0 C3D A:HEM472 4.2 27.1 1.0 C2D A:HEM472 4.2 19.5 1.0 C3A A:HEM472 4.2 30.2 1.0 C2C A:HEM472 4.3 35.4 1.0 C2A A:HEM472 4.3 26.7 1.0 C3C A:HEM472 4.3 21.8 1.0 C3B A:HEM472 4.3 43.4 1.0 C2B A:HEM472 4.3 33.0 1.0 CE2 A:PHE87 4.4 18.9 1.0 O A:ALA264 4.7 37.7 1.0 C A:CYS400 4.7 40.1 1.0 N A:ILE401 4.8 38.8 1.0 N A:GLY402 4.9 41.0 1.0 CD2 A:PHE87 4.9 18.4 1.0

Iron binding site 2 out of 4 in the Structure of Cytochrome P450


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Cytochrome P450 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe472 b:38.9 occ:1.00 FE B:HEM472 0.0 38.9 1.0 NC B:HEM472 1.9 21.9 1.0 NB B:HEM472 2.0 27.7 1.0 NA B:HEM472 2.0 29.4 1.0 ND B:HEM472 2.0 25.4 1.0 SG B:CYS400 2.2 48.0 1.0 C1C B:HEM472 3.0 32.5 1.0 C4C B:HEM472 3.0 31.9 1.0 C4B B:HEM472 3.0 34.9 1.0 C1B B:HEM472 3.0 32.9 1.0 C4A B:HEM472 3.0 25.5 1.0 C1D B:HEM472 3.0 26.1 1.0 C4D B:HEM472 3.1 24.8 1.0 C1A B:HEM472 3.1 31.1 1.0 CHC B:HEM472 3.3 31.8 1.0 CHB B:HEM472 3.4 23.4 1.0 CHD B:HEM472 3.4 19.6 1.0 CB B:CYS400 3.4 48.2 1.0 CHA B:HEM472 3.5 26.8 1.0 CA B:CYS400 4.1 44.3 1.0 C2C B:HEM472 4.2 29.6 1.0 C3C B:HEM472 4.2 20.3 1.0 C3D B:HEM472 4.3 20.8 1.0 C2D B:HEM472 4.3 20.4 1.0 CE2 B:PHE87 4.3 15.8 1.0 C3A B:HEM472 4.3 28.6 1.0 C3B B:HEM472 4.3 28.7 1.0 C2B B:HEM472 4.3 23.3 1.0 C2A B:HEM472 4.3 30.5 1.0 O B:ALA264 4.5 45.0 1.0 C B:CYS400 4.8 47.6 1.0 N B:ILE401 4.9 49.9 1.0 N B:GLY402 5.0 53.0 1.0 CD2 B:PHE87 5.0 31.0 1.0 OG1 B:THR268 5.0 46.1 1.0

Iron binding site 3 out of 4 in the Structure of Cytochrome P450


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Cytochrome P450 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe472 b:52.8 occ:1.00 FE C:HEM472 0.0 52.8 1.0 NA C:HEM472 1.9 33.2 1.0 ND C:HEM472 2.0 38.0 1.0 NB C:HEM472 2.0 34.6 1.0 NC C:HEM472 2.0 39.4 1.0 SG C:CYS400 2.3 55.2 1.0 C4A C:HEM472 3.0 32.8 1.0 C1A C:HEM472 3.0 39.8 1.0 C4D C:HEM472 3.0 44.9 1.0 C1B C:HEM472 3.0 39.7 1.0 C1C C:HEM472 3.0 41.7 1.0 C1D C:HEM472 3.0 35.8 1.0 C4B C:HEM472 3.1 32.9 1.0 C4C C:HEM472 3.1 27.4 1.0 CHB C:HEM472 3.4 39.0 1.0 CHA C:HEM472 3.4 40.6 1.0 CHC C:HEM472 3.4 38.0 1.0 CHD C:HEM472 3.4 24.9 1.0 CB C:CYS400 3.5 51.9 1.0 CA C:CYS400 4.1 47.1 1.0 C3A C:HEM472 4.2 30.9 1.0 C2A C:HEM472 4.2 38.0 1.0 C3D C:HEM472 4.2 47.6 1.0 C2C C:HEM472 4.3 29.6 1.0 C2D C:HEM472 4.3 40.2 1.0 C3B C:HEM472 4.3 30.1 1.0 C2B C:HEM472 4.3 31.4 1.0 C3C C:HEM472 4.3 24.6 1.0 O C:ALA264 4.5 44.2 1.0 CE2 C:PHE87 4.6 25.5 1.0 C C:CYS400 4.8 47.1 1.0 OG1 C:THR268 4.9 45.3 1.0 N C:ILE401 4.9 48.9 1.0 N C:GLY402 4.9 45.9 1.0 CD2 C:PHE87 5.0 12.4 1.0

Iron binding site 4 out of 4 in the Structure of Cytochrome P450


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Cytochrome P450 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe472 b:37.4 occ:1.00 FE D:HEM472 0.0 37.4 1.0 NA D:HEM472 1.9 21.1 1.0 ND D:HEM472 1.9 26.9 1.0 NC D:HEM472 2.0 24.1 1.0 NB D:HEM472 2.0 32.8 1.0 SG D:CYS400 2.3 47.7 1.0 C4D D:HEM472 3.0 32.6 1.0 C1A D:HEM472 3.0 22.7 1.0 C1D D:HEM472 3.0 31.7 1.0 C4A D:HEM472 3.0 28.9 1.0 C4C D:HEM472 3.0 36.9 1.0 C1C D:HEM472 3.0 25.1 1.0 C4B D:HEM472 3.1 34.8 1.0 C1B D:HEM472 3.1 32.0 1.0 CB D:CYS400 3.3 44.5 1.0 CHA D:HEM472 3.4 25.9 1.0 CHD D:HEM472 3.4 28.6 1.0 CHB D:HEM472 3.4 28.9 1.0 CHC D:HEM472 3.4 27.8 1.0 CA D:CYS400 4.0 44.7 1.0 C3D D:HEM472 4.2 35.5 1.0 C2D D:HEM472 4.2 34.9 1.0 C3A D:HEM472 4.2 25.6 1.0 C2A D:HEM472 4.3 26.1 1.0 C2C D:HEM472 4.3 27.6 1.0 C3C D:HEM472 4.3 29.8 1.0 C3B D:HEM472 4.3 27.0 1.0 C2B D:HEM472 4.4 24.8 1.0 CE2 D:PHE87 4.4 27.1 1.0 O D:ALA264 4.6 35.4 1.0 C D:CYS400 4.8 42.2 1.0 N D:ILE401 4.9 47.6 1.0 CD2 D:PHE87 5.0 18.8 1.0 N D:GLY402 5.0 43.9 1.0 OG1 D:THR268 5.0 57.9 1.0

H.Li, T.L.Poulos. The Structure of the Cytochrome P450BM-3 Haem Domain Complexed with the Fatty Acid Substrate, Palmitoleic Acid. Nat.Struct.Biol. V. 4 140 1997.
ISSN: ISSN 1072-8368
PubMed: 9033595
DOI: 10.1038/NSB0297-140