Iron in PDB 2pg7: Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V

All present enzymatic activity of Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V:
1.14.14.1;

The structure of Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V, PDB code: 2pg7 was solved by S.Sansen, M.H.Hsu, C.D.Stout, E.F.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.889, 159.389, 104.101, 90.00, 91.92, 90.00
R / Rfree (%)	23.5 / 28.9

The binding sites of Iron atom in the Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V (pdb code 2pg7). 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 Human Microsomal P450 2A6 N297Q/I300V, PDB code: 2pg7:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V


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 Human Microsomal P450 2A6 N297Q/I300V within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:49.0 occ:1.00 FE A:HEM500 0.0 49.0 1.0 NC A:HEM500 2.0 49.0 1.0 NA A:HEM500 2.0 49.0 1.0 ND A:HEM500 2.1 49.0 1.0 NB A:HEM500 2.1 49.0 1.0 SG A:CYS439 2.2 40.9 1.0 C1D A:HEM500 3.0 49.0 1.0 C1C A:HEM500 3.0 49.0 1.0 C4A A:HEM500 3.0 49.0 1.0 C4B A:HEM500 3.0 49.0 1.0 C4C A:HEM500 3.0 49.0 1.0 C1B A:HEM500 3.0 49.0 1.0 C4D A:HEM500 3.0 49.0 1.0 C1A A:HEM500 3.1 49.0 1.0 CHC A:HEM500 3.3 49.0 1.0 CHB A:HEM500 3.3 49.0 1.0 CHD A:HEM500 3.3 49.0 1.0 CHA A:HEM500 3.4 49.0 1.0 CB A:CYS439 3.6 40.9 1.0 C2C A:HEM500 4.2 49.0 1.0 C2D A:HEM500 4.2 49.0 1.0 C3A A:HEM500 4.2 49.0 1.0 C3C A:HEM500 4.2 49.0 1.0 C2A A:HEM500 4.2 49.0 1.0 C3D A:HEM500 4.2 49.0 1.0 C3B A:HEM500 4.3 49.0 1.0 C2B A:HEM500 4.3 49.0 1.0 CA A:CYS439 4.4 44.7 1.0 O A:GLY301 4.5 35.7 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V


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 Human Microsomal P450 2A6 N297Q/I300V within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:49.0 occ:1.00 FE B:HEM500 0.0 49.0 1.0 NC B:HEM500 2.0 49.0 1.0 NA B:HEM500 2.0 49.0 1.0 NB B:HEM500 2.0 49.0 1.0 ND B:HEM500 2.1 49.0 1.0 SG B:CYS439 2.2 36.7 1.0 C1C B:HEM500 3.0 49.0 1.0 C1D B:HEM500 3.0 49.0 1.0 C4B B:HEM500 3.0 49.0 1.0 C4A B:HEM500 3.0 49.0 1.0 C1B B:HEM500 3.0 49.0 1.0 C4C B:HEM500 3.0 49.0 1.0 C4D B:HEM500 3.0 49.0 1.0 C1A B:HEM500 3.1 49.0 1.0 CHC B:HEM500 3.3 49.0 1.0 CHB B:HEM500 3.3 49.0 1.0 CHD B:HEM500 3.3 49.0 1.0 CHA B:HEM500 3.4 49.0 1.0 CB B:CYS439 3.6 36.7 1.0 C2C B:HEM500 4.2 49.0 1.0 C2D B:HEM500 4.2 49.0 1.0 C3A B:HEM500 4.2 49.0 1.0 C3C B:HEM500 4.2 49.0 1.0 C2A B:HEM500 4.2 49.0 1.0 C3B B:HEM500 4.2 49.0 1.0 C2B B:HEM500 4.3 49.0 1.0 C3D B:HEM500 4.3 49.0 1.0 O B:GLY301 4.4 43.0 1.0 CA B:CYS439 4.5 33.0 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V


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 Human Microsomal P450 2A6 N297Q/I300V within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe500 b:49.0 occ:1.00 FE C:HEM500 0.0 49.0 1.0 NC C:HEM500 2.0 49.0 1.0 NB C:HEM500 2.1 49.0 1.0 NA C:HEM500 2.1 49.0 1.0 ND C:HEM500 2.1 49.0 1.0 SG C:CYS439 2.2 42.6 1.0 C1C C:HEM500 3.0 49.0 1.0 C1D C:HEM500 3.0 49.0 1.0 C4B C:HEM500 3.0 49.0 1.0 C4A C:HEM500 3.0 49.0 1.0 C4C C:HEM500 3.0 49.0 1.0 C1B C:HEM500 3.0 49.0 1.0 C4D C:HEM500 3.0 49.0 1.0 C1A C:HEM500 3.1 49.0 1.0 CHC C:HEM500 3.3 49.0 1.0 CHD C:HEM500 3.3 49.0 1.0 CHB C:HEM500 3.3 49.0 1.0 CHA C:HEM500 3.4 49.0 1.0 CB C:CYS439 3.5 42.6 1.0 C2C C:HEM500 4.2 49.0 1.0 C2D C:HEM500 4.2 49.0 1.0 C3C C:HEM500 4.2 49.0 1.0 C3A C:HEM500 4.2 49.0 1.0 C3D C:HEM500 4.3 49.0 1.0 C3B C:HEM500 4.3 49.0 1.0 C2A C:HEM500 4.3 49.0 1.0 C2B C:HEM500 4.3 49.0 1.0 CA C:CYS439 4.5 51.9 1.0 O C:GLY301 4.7 39.1 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Human Microsomal P450 2A6 N297Q/I300V


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 Human Microsomal P450 2A6 N297Q/I300V within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe500 b:49.0 occ:1.00 FE D:HEM500 0.0 49.0 1.0 NC D:HEM500 2.0 49.0 1.0 NB D:HEM500 2.0 49.0 1.0 NA D:HEM500 2.1 49.0 1.0 ND D:HEM500 2.1 49.0 1.0 SG D:CYS439 2.2 33.7 1.0 C1C D:HEM500 3.0 49.0 1.0 C1D D:HEM500 3.0 49.0 1.0 C4B D:HEM500 3.0 49.0 1.0 C4A D:HEM500 3.0 49.0 1.0 C1B D:HEM500 3.0 49.0 1.0 C4C D:HEM500 3.0 49.0 1.0 C4D D:HEM500 3.1 49.0 1.0 C1A D:HEM500 3.1 49.0 1.0 CHB D:HEM500 3.3 49.0 1.0 CHD D:HEM500 3.3 49.0 1.0 CHC D:HEM500 3.3 49.0 1.0 CHA D:HEM500 3.4 49.0 1.0 CB D:CYS439 3.6 33.7 1.0 C2C D:HEM500 4.2 49.0 1.0 C2D D:HEM500 4.2 49.0 1.0 C3C D:HEM500 4.2 49.0 1.0 C3A D:HEM500 4.2 49.0 1.0 C2B D:HEM500 4.2 49.0 1.0 C3B D:HEM500 4.2 49.0 1.0 C3D D:HEM500 4.3 49.0 1.0 C2A D:HEM500 4.3 49.0 1.0 O D:GLY301 4.4 33.6 1.0 CA D:CYS439 4.5 55.6 1.0

S.Sansen, M.H.Hsu, C.D.Stout, E.F.Johnson. Structural Insight Into the Altered Substrate Specificity of Human Cytochrome P450 2A6 Mutants. Arch.Biochem.Biophys. V. 464 197 2007.
ISSN: ISSN 0003-9861
PubMed: 17540336
DOI: 10.1016/J.ABB.2007.04.028