Iron in PDB 1e9x: Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Complex with 4-Phenylimidazole

The structure of Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Complex with 4-Phenylimidazole, PDB code: 1e9x was solved by L.M.Podust, T.L.Poulos, M.R.Waterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.16 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.136, 83.863, 109.557, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23

The binding sites of Iron atom in the Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Complex with 4-Phenylimidazole (pdb code 1e9x). 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 Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Complex with 4-Phenylimidazole, PDB code: 1e9x:

Iron binding site 1 out of 1 in the Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Complex with 4-Phenylimidazole


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Complex with 4-Phenylimidazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe460 b:20.6 occ:1.00 FE A:HEM460 0.0 20.6 1.0 ND A:HEM460 2.0 20.6 1.0 NC A:HEM460 2.0 19.9 1.0 NB A:HEM460 2.0 17.7 1.0 NA A:HEM460 2.0 18.7 1.0 SG A:CYS394 2.4 17.8 1.0 N3 A:PIM470 2.4 21.9 1.0 C4D A:HEM460 3.0 21.7 1.0 C1B A:HEM460 3.0 18.5 1.0 C1D A:HEM460 3.1 21.0 1.0 C1C A:HEM460 3.1 19.2 1.0 C1A A:HEM460 3.1 20.0 1.0 C4A A:HEM460 3.1 19.0 1.0 C4C A:HEM460 3.1 18.9 1.0 C4B A:HEM460 3.1 18.4 1.0 C2 A:PIM470 3.2 21.3 1.0 CB A:CYS394 3.3 19.6 1.0 C4 A:PIM470 3.3 22.8 1.0 CHA A:HEM460 3.4 20.9 1.0 CHB A:HEM460 3.4 16.2 1.0 CHD A:HEM460 3.4 19.8 1.0 CHC A:HEM460 3.4 17.8 1.0 CA A:CYS394 4.0 20.7 1.0 C3D A:HEM460 4.3 24.1 1.0 C2D A:HEM460 4.3 23.7 1.0 C3A A:HEM460 4.3 18.9 1.0 C2A A:HEM460 4.3 19.9 1.0 C2B A:HEM460 4.3 17.1 1.0 C3B A:HEM460 4.3 17.9 1.0 C2C A:HEM460 4.3 20.3 1.0 C3C A:HEM460 4.3 19.8 1.0 N1 A:PIM470 4.5 23.9 1.0 C5 A:PIM470 4.5 22.2 1.0 C A:CYS394 4.8 20.6 1.0 N A:GLY396 4.9 21.2 1.0

L.M.Podust, T.L.Poulos, M.R.Waterman. Crystal Structure of Cytochrome P450 14ALPHA -Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Complex with Azole Inhibitors Proc.Natl.Acad.Sci.Usa V. 98 3068 2001.
ISSN: ISSN 0027-8424
PubMed: 11248033
DOI: 10.1073/PNAS.061562898