Iron in PDB 7f3h: Crystal Structure of Cytochrome P450DA Heme Domain

All present enzymatic activity of Crystal Structure of Cytochrome P450DA Heme Domain:
1.14.14.1; 1.6.2.4;

The structure of Crystal Structure of Cytochrome P450DA Heme Domain, PDB code: 7f3h 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)	29.00 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	426.301, 62.799, 95.188, 90, 90, 90
R / Rfree (%)	20 / 24.6

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450DA Heme Domain (pdb code 7f3h). 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 Heme Domain, PDB code: 7f3h:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Cytochrome P450DA 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 Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe601 b:28.7 occ:1.00 FE A:HEM601 0.0 28.7 1.0 ND A:HEM601 2.0 20.2 1.0 NA A:HEM601 2.0 23.8 1.0 NC A:HEM601 2.1 21.1 1.0 NB A:HEM601 2.1 23.1 1.0 SG A:CYS405 2.4 27.7 1.0 C4D A:HEM601 3.0 24.6 1.0 C1D A:HEM601 3.0 23.8 1.0 C1A A:HEM601 3.0 25.8 1.0 C4C A:HEM601 3.0 21.3 1.0 C4A A:HEM601 3.1 24.1 1.0 C4B A:HEM601 3.1 28.1 1.0 C1C A:HEM601 3.1 26.6 1.0 C1B A:HEM601 3.1 24.1 1.0 CB A:CYS405 3.4 24.1 1.0 CHA A:HEM601 3.4 23.3 1.0 CHD A:HEM601 3.4 21.5 1.0 CHB A:HEM601 3.5 25.6 1.0 CHC A:HEM601 3.5 27.4 1.0 CA A:CYS405 4.0 29.1 1.0 O A:ALA267 4.0 30.9 1.0 C3D A:HEM601 4.2 22.2 1.0 C2D A:HEM601 4.3 24.6 1.0 C3C A:HEM601 4.3 24.1 1.0 C2A A:HEM601 4.3 29.2 1.0 C3A A:HEM601 4.3 25.5 1.0 C2C A:HEM601 4.3 28.4 1.0 C3B A:HEM601 4.3 23.5 1.0 C2B A:HEM601 4.4 23.6 1.0 CB A:ALA267 4.7 22.4 1.0 N A:GLY407 4.7 31.5 1.0 C A:CYS405 4.8 28.1 1.0 N A:ILE406 4.9 29.4 1.0 C A:ALA267 4.9 33.2 1.0 CA A:GLY407 5.0 23.7 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Cytochrome P450DA 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 Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe602 b:28.1 occ:1.00 FE B:HEM602 0.0 28.1 1.0 NC B:HEM602 2.0 31.3 1.0 ND B:HEM602 2.1 32.0 1.0 NB B:HEM602 2.1 26.6 1.0 NA B:HEM602 2.1 26.8 1.0 SG B:CYS405 2.5 26.8 1.0 C4C B:HEM602 3.0 29.6 1.0 C1D B:HEM602 3.1 31.0 1.0 C4B B:HEM602 3.1 28.9 1.0 C1C B:HEM602 3.1 32.4 1.0 C4D B:HEM602 3.1 31.8 1.0 C1A B:HEM602 3.1 26.1 1.0 C1B B:HEM602 3.1 28.4 1.0 C4A B:HEM602 3.1 28.3 1.0 CB B:CYS405 3.4 29.6 1.0 CHD B:HEM602 3.4 31.0 1.0 CHC B:HEM602 3.4 30.6 1.0 CHA B:HEM602 3.4 29.6 1.0 CHB B:HEM602 3.5 27.1 1.0 O B:ALA267 4.0 36.5 1.0 CA B:CYS405 4.1 30.8 1.0 C3C B:HEM602 4.2 37.6 1.0 C2D B:HEM602 4.3 30.5 1.0 C2C B:HEM602 4.3 33.0 1.0 C3B B:HEM602 4.3 27.0 1.0 C3D B:HEM602 4.3 35.2 1.0 C2B B:HEM602 4.3 28.7 1.0 C2A B:HEM602 4.3 26.7 1.0 C3A B:HEM602 4.3 33.6 1.0 CB B:ALA267 4.6 34.8 1.0 N B:GLY407 4.8 36.7 1.0 C B:CYS405 4.8 29.8 1.0 C B:ALA267 4.9 36.6 1.0 N B:ILE406 4.9 29.8 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Cytochrome P450DA 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 Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe601 b:30.6 occ:1.00 FE C:HEM601 0.0 30.6 1.0 ND C:HEM601 2.1 36.9 1.0 NA C:HEM601 2.1 46.9 1.0 NC C:HEM601 2.1 35.1 1.0 NB C:HEM601 2.1 37.7 1.0 SG C:CYS405 2.4 30.0 1.0 C4C C:HEM601 3.1 33.3 1.0 C1A C:HEM601 3.1 44.0 1.0 C1D C:HEM601 3.1 32.8 1.0 C4D C:HEM601 3.1 38.3 1.0 C4B C:HEM601 3.1 40.3 1.0 C4A C:HEM601 3.1 39.3 1.0 C1B C:HEM601 3.1 42.5 1.0 C1C C:HEM601 3.1 35.4 1.0 CB C:CYS405 3.3 38.4 1.0 CHD C:HEM601 3.4 34.3 1.0 CHA C:HEM601 3.4 38.2 1.0 CHC C:HEM601 3.5 39.0 1.0 CHB C:HEM601 3.5 39.4 1.0 CA C:CYS405 4.0 36.1 1.0 O C:ALA267 4.3 43.2 1.0 C3C C:HEM601 4.3 33.7 1.0 C2A C:HEM601 4.3 49.4 1.0 C2D C:HEM601 4.3 36.4 1.0 C3B C:HEM601 4.3 40.1 1.0 C3D C:HEM601 4.3 44.5 1.0 C3A C:HEM601 4.3 46.0 1.0 C2B C:HEM601 4.3 42.2 1.0 C2C C:HEM601 4.4 38.0 1.0 N C:GLY407 4.6 36.5 1.0 C C:CYS405 4.8 35.5 1.0 CB C:ALA267 4.8 40.9 1.0 N C:ILE406 4.8 34.9 1.0 CA C:GLY407 4.8 30.4 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Cytochrome P450DA 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 Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe601 b:25.0 occ:1.00 FE D:HEM601 0.0 25.0 1.0 NC D:HEM601 2.0 24.6 1.0 ND D:HEM601 2.0 26.4 1.0 NB D:HEM601 2.0 23.9 1.0 NA D:HEM601 2.1 24.4 1.0 SG D:CYS405 2.5 27.1 1.0 C4C D:HEM601 3.0 28.5 1.0 C4B D:HEM601 3.0 22.9 1.0 C1D D:HEM601 3.0 26.4 1.0 C1C D:HEM601 3.0 24.3 1.0 C4D D:HEM601 3.1 22.9 1.0 C1A D:HEM601 3.1 29.2 1.0 C1B D:HEM601 3.1 24.0 1.0 C4A D:HEM601 3.1 21.5 1.0 CB D:CYS405 3.3 23.2 1.0 CHD D:HEM601 3.4 22.7 1.0 CHC D:HEM601 3.4 23.8 1.0 CHA D:HEM601 3.5 25.4 1.0 CHB D:HEM601 3.5 21.6 1.0 CA D:CYS405 4.0 26.0 1.0 O D:ALA267 4.1 27.5 1.0 C3C D:HEM601 4.2 29.0 1.0 C2D D:HEM601 4.3 26.3 1.0 C3B D:HEM601 4.3 25.5 1.0 C3D D:HEM601 4.3 25.5 1.0 C2C D:HEM601 4.3 25.7 1.0 C2A D:HEM601 4.3 23.9 1.0 C2B D:HEM601 4.3 27.0 1.0 C3A D:HEM601 4.4 23.4 1.0 CB D:ALA267 4.7 28.0 1.0 N D:GLY407 4.7 22.9 1.0 C D:CYS405 4.8 26.6 1.0 CA D:GLY407 4.9 23.3 1.0 N D:ILE406 5.0 25.0 1.0 C D:ALA267 5.0 28.4 1.0

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