Iron in PDB 1tqn: Crystal Structure of Human Microsomal P450 3A4

All present enzymatic activity of Crystal Structure of Human Microsomal P450 3A4:
1.14.14.1;

The structure of Crystal Structure of Human Microsomal P450 3A4, PDB code: 1tqn was solved by J.K.Yano, M.R.Wester, G.A.Schoch, K.J.Griffin, 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)	50.00 / 2.05
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.153, 99.615, 132.684, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 29.3

The binding sites of Iron atom in the Crystal Structure of Human Microsomal P450 3A4 (pdb code 1tqn). 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 3A4, PDB code: 1tqn:

Iron binding site 1 out of 1 in the Crystal Structure of Human Microsomal P450 3A4


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 3A4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe508 b:32.1 occ:1.00 FE A:HEM508 0.0 32.1 1.0 NC A:HEM508 2.1 36.9 1.0 O A:HOH509 2.1 39.0 1.0 NA A:HEM508 2.1 33.9 1.0 ND A:HEM508 2.1 35.4 1.0 NB A:HEM508 2.1 34.6 1.0 SG A:CYS442 2.4 35.0 1.0 C1C A:HEM508 3.0 35.1 1.0 C4B A:HEM508 3.0 32.8 1.0 C1D A:HEM508 3.0 36.1 1.0 C4A A:HEM508 3.0 31.8 1.0 C4D A:HEM508 3.1 35.0 1.0 C4C A:HEM508 3.1 36.5 1.0 C1B A:HEM508 3.1 32.2 1.0 C1A A:HEM508 3.1 31.8 1.0 CHC A:HEM508 3.3 35.0 1.0 CHB A:HEM508 3.4 29.4 1.0 CB A:CYS442 3.4 30.1 1.0 CHD A:HEM508 3.4 36.3 1.0 CHA A:HEM508 3.4 33.1 1.0 CA A:CYS442 4.0 34.5 1.0 C2D A:HEM508 4.2 36.3 1.0 C2C A:HEM508 4.2 36.9 1.0 C3A A:HEM508 4.2 32.3 1.0 C3D A:HEM508 4.3 36.6 1.0 C3B A:HEM508 4.3 33.6 1.0 C2A A:HEM508 4.3 31.6 1.0 C3C A:HEM508 4.3 38.8 1.0 C2B A:HEM508 4.3 31.1 1.0 CB A:ALA305 4.8 35.2 1.0 O A:ALA305 4.8 38.5 1.0 C A:CYS442 4.8 37.3 1.0 N A:GLY444 4.9 39.8 1.0 N A:ILE443 4.9 38.8 1.0

J.K.Yano, M.R.Wester, G.A.Schoch, K.J.Griffin, C.D.Stout, E.F.Johnson. The Structure of Human Microsomal Cytochrome P450 3A4 Determined By X-Ray Crystallography to 2.05-A Resolution J.Biol.Chem. V. 279 38091 2004.
ISSN: ISSN 0021-9258
PubMed: 15258162
DOI: 10.1074/JBC.C400293200