Iron in PDB 1h5z: Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Ferric Low-Spin State

All present enzymatic activity of Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Ferric Low-Spin State:
1.14.13.70;

The structure of Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Ferric Low-Spin State, PDB code: 1h5z was solved by L.M.Podust, M.Arase, M.R.Waterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.51 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.489, 84.827, 110.025, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23.6

The binding sites of Iron atom in the Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Ferric Low-Spin State (pdb code 1h5z). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Ferric Low-Spin State, PDB code: 1h5z:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Ferric Low-Spin State


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 Ferric Low-Spin State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe460 b:20.2 occ:1.00 FE A:HEM460 0.0 20.2 1.0 ND A:HEM460 2.0 21.8 1.0 NC A:HEM460 2.0 17.4 1.0 NB A:HEM460 2.0 17.8 1.0 NA A:HEM460 2.0 19.2 1.0 O A:HOH2156 2.3 18.2 1.0 SG A:CYS394 2.4 20.1 1.0 C1D A:HEM460 3.0 22.1 1.0 C4D A:HEM460 3.0 21.9 1.0 C1B A:HEM460 3.0 16.8 1.0 C1C A:HEM460 3.0 16.1 1.0 C1A A:HEM460 3.1 20.0 1.0 C4C A:HEM460 3.1 19.5 1.0 C4A A:HEM460 3.1 19.6 1.0 C4B A:HEM460 3.1 16.4 1.0 CB A:CYS394 3.4 21.8 1.0 CHD A:HEM460 3.4 20.1 1.0 CHA A:HEM460 3.4 21.8 1.0 CHB A:HEM460 3.4 16.5 1.0 CHC A:HEM460 3.4 16.6 1.0 CA A:CYS394 4.2 22.7 1.0 O A:ALA256 4.2 19.7 1.0 C2D A:HEM460 4.3 25.7 1.0 C3D A:HEM460 4.3 26.8 1.0 C2B A:HEM460 4.3 17.5 1.0 C3B A:HEM460 4.3 18.9 1.0 C3A A:HEM460 4.3 18.9 1.0 C2A A:HEM460 4.3 19.8 1.0 C2C A:HEM460 4.3 18.2 1.0 C3C A:HEM460 4.3 17.2 1.0 O A:HOH2067 4.3 21.5 1.0 C A:CYS394 4.9 21.8 1.0 N A:GLY396 4.9 21.8 1.0 CB A:ALA256 5.0 19.6 1.0 C A:ALA256 5.0 19.6 1.0

Iron binding site 2 out of 2 in the Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Ferric Low-Spin State


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome P450 14 Alpha-Sterol Demethylase (CYP51) From Mycobacterium Tuberculosis in Ferric Low-Spin State within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe470 b:39.2 occ:1.00 SG A:CYS442 2.3 32.9 1.0 CB A:CYS442 3.0 25.6 1.0 CA A:CYS442 3.7 23.3 1.0 CG A:GLU133 3.9 35.6 1.0 O A:ILE134 4.0 23.0 1.0 C A:ILE134 4.4 21.6 1.0 CD A:GLU133 4.6 39.7 1.0 N A:CYS442 4.6 21.4 1.0 CB A:GLU133 4.6 29.0 1.0 N A:ASP135 4.7 20.6 1.0 C A:CYS442 4.8 22.3 1.0 CA A:ASP135 4.9 18.6 1.0 CB A:ASP135 4.9 19.2 1.0 N A:VAL443 4.9 21.1 1.0 OE2 A:GLU133 4.9 40.4 1.0 N A:ILE134 4.9 22.8 1.0

L.M.Podust, L.V.Yermalitskaya, G.I.Lepesheva, V.N.Podust, E.A.Dalmasso, M.R.Waterman. Estriol Bound and Ligand-Free Structures of Sterol 14ALPHA-Demethylase. Structure V. 12 1937 2004.
ISSN: ISSN 0969-2126
PubMed: 15530358
DOI: 10.1016/J.STR.2004.08.009