Iron in PDB 3lc4: Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic Acid

The structure of Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic Acid, PDB code: 3lc4 was solved by E.E.Scott, P.R.Porubsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.93 / 3.10
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	70.779, 70.779, 224.629, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 27

The binding sites of Iron atom in the Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic Acid (pdb code 3lc4). 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-Dodecanoic Acid, PDB code: 3lc4:
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-Dodecanoic 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-Dodecanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:26.1 occ:1.00 FE A:HEM500 0.0 26.1 1.0 NB A:HEM500 2.0 23.0 1.0 NA A:HEM500 2.0 24.2 1.0 ND A:HEM500 2.0 24.7 1.0 NC A:HEM500 2.1 23.1 1.0 N15 A:LC4501 2.5 51.9 1.0 SG A:CYS437 2.5 38.7 1.0 C4B A:HEM500 3.0 22.4 1.0 C4D A:HEM500 3.0 25.9 1.0 C1A A:HEM500 3.0 25.2 1.0 C1C A:HEM500 3.0 22.5 1.0 C1D A:HEM500 3.1 25.0 1.0 C4A A:HEM500 3.1 24.2 1.0 C1B A:HEM500 3.1 23.2 1.0 C4C A:HEM500 3.1 22.5 1.0 C14 A:LC4501 3.3 51.0 1.0 CB A:CYS437 3.3 38.3 1.0 CHC A:HEM500 3.3 22.7 1.0 CHA A:HEM500 3.4 25.1 1.0 CHB A:HEM500 3.5 23.6 1.0 CHD A:HEM500 3.5 22.8 1.0 C16 A:LC4501 3.6 52.1 1.0 CA A:CYS437 3.9 38.7 1.0 C3B A:HEM500 4.2 21.6 1.0 C3D A:HEM500 4.3 27.6 1.0 C2A A:HEM500 4.3 26.6 1.0 C2D A:HEM500 4.3 26.8 1.0 C2C A:HEM500 4.3 21.8 1.0 C3A A:HEM500 4.3 25.3 1.0 C2B A:HEM500 4.3 22.1 1.0 C3C A:HEM500 4.3 22.2 1.0 C13 A:LC4501 4.5 52.0 1.0 N A:ALA438 4.6 38.5 1.0 N12 A:LC4501 4.6 52.6 1.0 C A:CYS437 4.7 38.6 1.0 N A:GLY439 4.8 37.6 1.0

Iron binding site 2 out of 2 in the Human Cytochrome P450 2E1 in Complex with Omega-Imidazolyl-Dodecanoic 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-Dodecanoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe500 b:31.4 occ:1.00 FE B:HEM500 0.0 31.4 1.0 NB B:HEM500 2.0 29.3 1.0 NA B:HEM500 2.0 31.2 1.0 ND B:HEM500 2.0 30.9 1.0 NC B:HEM500 2.1 29.8 1.0 SG B:CYS437 2.4 34.8 1.0 N15 B:LC4501 2.6 51.1 1.0 C14 B:LC4501 2.8 51.3 1.0 C4D B:HEM500 3.0 31.8 1.0 C4B B:HEM500 3.0 28.6 1.0 C1A B:HEM500 3.0 32.1 1.0 C1C B:HEM500 3.1 28.7 1.0 C4A B:HEM500 3.1 31.2 1.0 C1B B:HEM500 3.1 30.0 1.0 C1D B:HEM500 3.1 30.8 1.0 C4C B:HEM500 3.2 28.9 1.0 CB B:CYS437 3.2 35.7 1.0 CHA B:HEM500 3.3 31.7 1.0 CHC B:HEM500 3.4 28.2 1.0 CHB B:HEM500 3.5 30.8 1.0 CHD B:HEM500 3.5 28.9 1.0 C16 B:LC4501 3.8 51.8 1.0 CA B:CYS437 3.9 35.9 1.0 C13 B:LC4501 4.0 52.6 1.0 C3D B:HEM500 4.2 32.9 1.0 C2A B:HEM500 4.2 33.2 1.0 C3B B:HEM500 4.2 28.3 1.0 C2D B:HEM500 4.3 31.7 1.0 C3A B:HEM500 4.3 31.6 1.0 C2B B:HEM500 4.3 28.9 1.0 C2C B:HEM500 4.3 27.8 1.0 C3C B:HEM500 4.3 28.7 1.0 N B:ALA438 4.5 35.9 1.0 N12 B:LC4501 4.5 53.0 1.0 C B:CYS437 4.6 35.8 1.0 N B:GLY439 4.7 35.4 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