Iron in PDB 2hi4: Crystal Structure of Human Microsomal P450 1A2 in Complex with Alpha- Naphthoflavone

All present enzymatic activity of Crystal Structure of Human Microsomal P450 1A2 in Complex with Alpha- Naphthoflavone:
1.14.14.1;

The structure of Crystal Structure of Human Microsomal P450 1A2 in Complex with Alpha- Naphthoflavone, PDB code: 2hi4 was solved by S.Sansen, J.K.Yano, R.L.Reynald, G.S.Schoch, 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)	29.51 / 1.95
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.630, 80.820, 175.820, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.7

The binding sites of Iron atom in the Crystal Structure of Human Microsomal P450 1A2 in Complex with Alpha- Naphthoflavone (pdb code 2hi4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Human Microsomal P450 1A2 in Complex with Alpha- Naphthoflavone, PDB code: 2hi4:

Iron binding site 1 out of 1 in the Crystal Structure of Human Microsomal P450 1A2 in Complex with Alpha- Naphthoflavone


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 1A2 in Complex with Alpha- Naphthoflavone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe900 b:22.4 occ:1.00 FE A:HEM900 0.0 22.4 1.0 NA A:HEM900 2.1 15.1 1.0 NC A:HEM900 2.1 22.3 1.0 ND A:HEM900 2.1 25.1 1.0 NB A:HEM900 2.1 21.5 1.0 SG A:CYS458 2.3 25.0 1.0 C1D A:HEM900 3.0 26.0 1.0 C4C A:HEM900 3.0 21.5 1.0 C4A A:HEM900 3.0 30.1 1.0 C1B A:HEM900 3.1 23.8 1.0 C1C A:HEM900 3.1 20.6 1.0 C4B A:HEM900 3.1 20.7 1.0 C4D A:HEM900 3.1 20.9 1.0 C1A A:HEM900 3.1 18.1 1.0 CHD A:HEM900 3.2 21.7 1.0 CB A:CYS458 3.2 21.0 1.0 CHB A:HEM900 3.3 25.3 1.0 CHC A:HEM900 3.4 21.3 1.0 CHA A:HEM900 3.5 16.5 1.0 CA A:CYS458 4.0 23.4 1.0 C3C A:HEM900 4.2 20.0 1.0 C2C A:HEM900 4.2 27.0 1.0 C2D A:HEM900 4.2 27.0 1.0 C3A A:HEM900 4.3 21.4 1.0 C2B A:HEM900 4.3 21.4 1.0 C3D A:HEM900 4.3 22.4 1.0 C2A A:HEM900 4.3 24.2 1.0 C3B A:HEM900 4.4 22.3 1.0 C A:CYS458 4.7 26.1 1.0 C4 A:BHF800 4.7 31.9 1.0 N A:ILE459 4.8 27.9 1.0 CG2 A:THR321 4.8 19.4 1.0 N A:GLY460 4.8 25.1 1.0 CB A:ALA317 4.9 21.8 1.0 C5 A:BHF800 5.0 32.8 1.0

S.Sansen, J.K.Yano, R.L.Reynald, G.A.Schoch, K.J.Griffin, C.D.Stout, E.F.Johnson. Adaptations For the Oxidation of Polycyclic Aromatic Hydrocarbons Exhibited By the Structure of Human P450 1A2. J.Biol.Chem. V. 282 14348 2007.
ISSN: ISSN 0021-9258
PubMed: 17311915
DOI: 10.1074/JBC.M611692200