Iron in PDB 3gph: Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Decanoic Acid

All present enzymatic activity of Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Decanoic Acid:
1.14.14.1;

The structure of Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Decanoic Acid, PDB code: 3gph was solved by P.R.Porubsky, K.P.Battaile, E.E.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.31 / 2.70
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	70.709, 70.709, 222.823, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 28.3

The binding sites of Iron atom in the Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Decanoic Acid (pdb code 3gph). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Decanoic Acid, PDB code: 3gph:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Decanoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Decanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:35.2 occ:1.00 FE A:HEM500 0.0 35.2 1.0 NC A:HEM500 2.0 26.2 1.0 NA A:HEM500 2.0 25.0 1.0 ND A:HEM500 2.1 27.1 1.0 SG A:CYS437 2.2 23.9 1.0 NB A:HEM500 2.2 25.1 1.0 N15 A:OID501 2.4 19.9 1.0 C4C A:HEM500 2.9 25.3 1.0 C4A A:HEM500 3.0 24.8 1.0 C1D A:HEM500 3.1 24.9 1.0 C1A A:HEM500 3.1 25.2 1.0 C1C A:HEM500 3.1 25.1 1.0 C1B A:HEM500 3.1 23.7 1.0 C4D A:HEM500 3.1 26.2 1.0 C16 A:OID501 3.2 24.0 1.0 C4B A:HEM500 3.3 24.1 1.0 CHD A:HEM500 3.3 24.7 1.0 CB A:CYS437 3.4 22.3 1.0 CHB A:HEM500 3.4 23.9 1.0 CHA A:HEM500 3.5 24.1 1.0 C14 A:OID501 3.6 21.7 1.0 CHC A:HEM500 3.6 23.9 1.0 CA A:CYS437 4.0 22.4 1.0 C3C A:HEM500 4.2 23.1 1.0 C2C A:HEM500 4.2 23.6 1.0 C3A A:HEM500 4.2 24.3 1.0 C2A A:HEM500 4.3 25.4 1.0 C2D A:HEM500 4.3 25.9 1.0 C3D A:HEM500 4.4 26.6 1.0 C2B A:HEM500 4.4 22.3 1.0 N12 A:OID501 4.5 24.5 1.0 C3B A:HEM500 4.5 21.4 1.0 C13 A:OID501 4.6 23.4 1.0 N A:ALA438 4.6 21.2 1.0 C A:CYS437 4.7 22.0 1.0 N A:GLY439 5.0 21.4 1.0

Iron binding site 2 out of 2 in the Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Decanoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Decanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:35.3 occ:1.00 FE B:HEM500 0.0 35.3 1.0 NC B:HEM500 2.0 24.5 1.0 NB B:HEM500 2.1 23.4 1.0 ND B:HEM500 2.2 24.3 1.0 NA B:HEM500 2.2 24.7 1.0 SG B:CYS437 2.3 23.9 1.0 N15 B:OID501 2.3 22.4 1.0 C1C B:HEM500 3.0 24.2 1.0 C4C B:HEM500 3.0 22.8 1.0 C1D B:HEM500 3.1 24.7 1.0 C4B B:HEM500 3.1 22.1 1.0 C1B B:HEM500 3.2 23.9 1.0 C4D B:HEM500 3.2 24.9 1.0 C4A B:HEM500 3.2 24.5 1.0 C1A B:HEM500 3.2 25.2 1.0 C16 B:OID501 3.3 23.5 1.0 CB B:CYS437 3.3 23.7 1.0 C14 B:OID501 3.3 24.0 1.0 CHC B:HEM500 3.4 22.9 1.0 CHD B:HEM500 3.4 23.9 1.0 CHB B:HEM500 3.5 22.9 1.0 CHA B:HEM500 3.5 24.5 1.0 CA B:CYS437 4.0 24.2 1.0 C2C B:HEM500 4.1 22.6 1.0 C3C B:HEM500 4.1 22.1 1.0 C2D B:HEM500 4.3 25.1 1.0 C3B B:HEM500 4.3 20.5 1.0 C2B B:HEM500 4.4 20.8 1.0 C3D B:HEM500 4.4 24.7 1.0 C2A B:HEM500 4.4 26.3 1.0 C3A B:HEM500 4.4 25.2 1.0 N12 B:OID501 4.4 24.9 1.0 C13 B:OID501 4.5 24.8 1.0 C B:CYS437 4.7 23.7 1.0 N B:ALA438 4.7 24.1 1.0 N B:GLY439 4.7 23.9 1.0 CG2 B:THR303 5.0 18.8 1.0

P.R.Porubsky, K.P.Battaile, E.E.Scott. Human Cytochrome P450 2E1 Structures with Fatty Acid Analogs Reveal A Previously Unobserved Binding Mode. J.Biol.Chem. V. 285 22282 2010.
ISSN: ISSN 0021-9258
PubMed: 20463018
DOI: 10.1074/JBC.M110.109017