Iron in PDB 7f3w: Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain

The structure of Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain, PDB code: 7f3w was solved by N.W.Wan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.14 / 2.86
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	426.822, 63.896, 95.958, 90, 90, 90
R / Rfree (%)	19.3 / 24.3

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain (pdb code 7f3w). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain, PDB code: 7f3w:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:16.3 occ:1.00 FE A:HEM501 0.0 16.3 1.0 NB A:HEM501 2.0 17.2 1.0 ND A:HEM501 2.0 19.8 1.0 NA A:HEM501 2.1 18.8 1.0 NC A:HEM501 2.1 19.2 1.0 SG A:CYS405 2.4 18.1 1.0 C1B A:HEM501 3.0 16.6 1.0 C4B A:HEM501 3.0 17.1 1.0 C1D A:HEM501 3.0 21.7 1.0 C4A A:HEM501 3.1 19.2 1.0 C4C A:HEM501 3.1 19.6 1.0 C1C A:HEM501 3.1 18.7 1.0 C1A A:HEM501 3.1 21.7 1.0 C4D A:HEM501 3.1 19.2 1.0 CB A:CYS405 3.1 19.1 1.0 CHB A:HEM501 3.4 20.1 1.0 CHD A:HEM501 3.4 21.4 1.0 CHC A:HEM501 3.4 19.6 1.0 CHA A:HEM501 3.5 22.0 1.0 CA A:CYS405 4.0 22.8 1.0 C3B A:HEM501 4.2 18.1 1.0 C2B A:HEM501 4.2 16.9 1.0 O A:ALA267 4.2 25.0 1.0 C2D A:HEM501 4.3 21.7 1.0 C3C A:HEM501 4.3 18.4 1.0 C3A A:HEM501 4.3 18.8 1.0 C2A A:HEM501 4.3 19.3 1.0 C3D A:HEM501 4.3 21.9 1.0 C2C A:HEM501 4.3 19.1 1.0 HHB A:HEM501 4.4 23.9 1.0 HHD A:HEM501 4.4 25.4 1.0 HHC A:HEM501 4.4 23.2 1.0 HHA A:HEM501 4.5 26.1 1.0 CB A:ALA267 4.7 18.8 1.0 N A:GLY407 4.8 17.7 1.0 C A:CYS405 4.8 18.9 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:33.8 occ:1.00 FE B:HEM501 0.0 33.8 1.0 NB B:HEM501 1.9 31.3 1.0 NA B:HEM501 2.0 34.3 1.0 NC B:HEM501 2.0 39.1 1.0 ND B:HEM501 2.0 36.2 1.0 SG B:CYS405 2.8 34.0 1.0 C1B B:HEM501 2.9 32.9 1.0 C4B B:HEM501 3.0 33.2 1.0 C4A B:HEM501 3.0 35.0 1.0 C1A B:HEM501 3.0 32.7 1.0 C4C B:HEM501 3.1 43.5 1.0 C1D B:HEM501 3.1 37.6 1.0 C4D B:HEM501 3.1 36.1 1.0 C1C B:HEM501 3.1 35.7 1.0 CB B:CYS405 3.2 36.4 1.0 CHB B:HEM501 3.4 33.9 1.0 CHC B:HEM501 3.4 36.5 1.0 CHA B:HEM501 3.4 35.7 1.0 CHD B:HEM501 3.5 40.8 1.0 CA B:CYS405 4.0 37.5 1.0 C3B B:HEM501 4.2 30.2 1.0 C2B B:HEM501 4.2 32.2 1.0 C3A B:HEM501 4.2 37.6 1.0 C2A B:HEM501 4.3 34.6 1.0 C3C B:HEM501 4.3 38.4 1.0 C2D B:HEM501 4.3 38.6 1.0 C3D B:HEM501 4.3 40.6 1.0 C2C B:HEM501 4.3 36.8 1.0 O B:ALA267 4.3 41.3 1.0 HHB B:HEM501 4.3 40.4 1.0 HHC B:HEM501 4.4 43.6 1.0 HHA B:HEM501 4.4 42.6 1.0 HHD B:HEM501 4.4 48.7 1.0 C B:CYS405 4.8 37.1 1.0 CB B:ALA267 4.8 37.8 1.0 C B:ALA267 5.0 43.0 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:16.1 occ:1.00 FE C:HEM501 0.0 16.1 1.0 ND C:HEM501 2.0 27.7 1.0 NA C:HEM501 2.0 23.8 1.0 NB C:HEM501 2.0 23.4 1.0 NC C:HEM501 2.1 25.6 1.0 SG C:CYS405 2.7 25.1 1.0 C1D C:HEM501 3.0 26.3 1.0 C4A C:HEM501 3.0 23.6 1.0 C1B C:HEM501 3.0 20.4 1.0 C4D C:HEM501 3.0 28.0 1.0 C1A C:HEM501 3.1 22.4 1.0 C4C C:HEM501 3.1 24.3 1.0 C4B C:HEM501 3.1 23.8 1.0 C1C C:HEM501 3.1 27.7 1.0 CB C:CYS405 3.2 23.5 1.0 CHB C:HEM501 3.4 24.3 1.0 CHD C:HEM501 3.4 27.1 1.0 CHA C:HEM501 3.4 26.3 1.0 CHC C:HEM501 3.5 26.8 1.0 CA C:CYS405 3.9 27.7 1.0 C2D C:HEM501 4.2 30.7 1.0 C3A C:HEM501 4.2 18.8 1.0 C2B C:HEM501 4.2 17.6 1.0 C3D C:HEM501 4.2 29.6 1.0 C3B C:HEM501 4.3 20.3 1.0 C2A C:HEM501 4.3 21.1 1.0 C3C C:HEM501 4.3 25.1 1.0 O C:ALA267 4.3 31.6 1.0 C2C C:HEM501 4.3 25.2 1.0 HHB C:HEM501 4.4 28.9 1.0 HHD C:HEM501 4.4 32.3 1.0 HHA C:HEM501 4.4 31.3 1.0 HHC C:HEM501 4.5 31.9 1.0 CB C:ALA267 4.5 33.5 1.0 C C:CYS405 4.9 28.1 1.0 N C:ILE406 4.9 26.9 1.0 N C:GLY407 5.0 23.6 1.0 C C:ALA267 5.0 28.6 1.0 CD1 C:ILE332 5.0 24.5 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Cytochrome P450DA Mutant (N190F/V356L/A486E) Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:39.9 occ:1.00 FE D:HEM501 0.0 39.9 1.0 NC D:HEM501 2.0 49.7 1.0 NB D:HEM501 2.1 48.8 1.0 ND D:HEM501 2.1 53.1 1.0 NA D:HEM501 2.1 45.6 1.0 SG D:CYS405 2.4 32.2 1.0 C4C D:HEM501 3.0 51.2 1.0 C1C D:HEM501 3.0 49.6 1.0 C1D D:HEM501 3.0 50.0 1.0 C4B D:HEM501 3.1 48.0 1.0 C4A D:HEM501 3.1 46.3 1.0 C1B D:HEM501 3.1 47.3 1.0 C4D D:HEM501 3.1 49.7 1.0 C1A D:HEM501 3.1 44.9 1.0 CHD D:HEM501 3.4 54.7 1.0 CHC D:HEM501 3.4 49.7 1.0 CHB D:HEM501 3.5 47.5 1.0 O D:ALA267 3.5 53.6 1.0 CHA D:HEM501 3.5 46.2 1.0 CB D:CYS405 3.6 45.9 1.0 C3C D:HEM501 4.2 49.6 1.0 C2C D:HEM501 4.2 49.9 1.0 C2D D:HEM501 4.3 51.7 1.0 C3A D:HEM501 4.3 44.1 1.0 C3B D:HEM501 4.3 44.3 1.0 C3D D:HEM501 4.3 52.6 1.0 C2B D:HEM501 4.3 42.2 1.0 C2A D:HEM501 4.3 39.6 1.0 HHD D:HEM501 4.3 65.3 1.0 CB D:ALA267 4.4 44.3 1.0 HHC D:HEM501 4.4 59.3 1.0 HHB D:HEM501 4.4 56.8 1.0 CA D:CYS405 4.4 45.8 1.0 HHA D:HEM501 4.5 55.1 1.0 C D:ALA267 4.5 51.9 1.0 CA D:ALA267 5.0 50.4 1.0 CD1 D:ILE332 5.0 41.6 1.0

N.W.Wan, N.W.Wan. N/A N/A.