Iron in PDB 1x8v: Estriol-Bound and Ligand-Free Structures of Sterol 14ALPHA- Demethylase (CYP51)

All present enzymatic activity of Estriol-Bound and Ligand-Free Structures of Sterol 14ALPHA- Demethylase (CYP51):
1.14.13.70;

The structure of Estriol-Bound and Ligand-Free Structures of Sterol 14ALPHA- Demethylase (CYP51), PDB code: 1x8v was solved by L.M.Podust, L.V.Yermalitskaya, G.I.Lepesheva, V.N.Podust, E.A.Dalmasso, M.R.Waterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.50 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.161, 84.522, 110.811, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 22.7

The binding sites of Iron atom in the Estriol-Bound and Ligand-Free Structures of Sterol 14ALPHA- Demethylase (CYP51) (pdb code 1x8v). 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 Estriol-Bound and Ligand-Free Structures of Sterol 14ALPHA- Demethylase (CYP51), PDB code: 1x8v:

Iron binding site 1 out of 1 in the Estriol-Bound and Ligand-Free Structures of Sterol 14ALPHA- Demethylase (CYP51)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Estriol-Bound and Ligand-Free Structures of Sterol 14ALPHA- Demethylase (CYP51) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe470 b:15.1 occ:1.00 FE A:HEM470 0.0 15.1 1.0 ND A:HEM470 2.0 17.5 1.0 NC A:HEM470 2.0 17.2 1.0 NB A:HEM470 2.0 14.1 1.0 NA A:HEM470 2.0 14.8 1.0 SG A:CYS394 2.5 11.7 1.0 C1C A:HEM470 3.0 17.2 1.0 C4D A:HEM470 3.0 19.5 1.0 C1B A:HEM470 3.0 16.0 1.0 C1D A:HEM470 3.1 20.3 1.0 C4B A:HEM470 3.1 16.5 1.0 C1A A:HEM470 3.1 15.8 1.0 C4C A:HEM470 3.1 18.6 1.0 C4A A:HEM470 3.1 15.5 1.0 CHA A:HEM470 3.4 17.1 1.0 CHC A:HEM470 3.4 16.9 1.0 CHD A:HEM470 3.4 18.6 1.0 CHB A:HEM470 3.4 14.0 1.0 CB A:CYS394 3.4 12.9 1.0 CA A:CYS394 4.2 16.2 1.0 C2B A:HEM470 4.3 14.7 1.0 C3D A:HEM470 4.3 22.0 1.0 C3B A:HEM470 4.3 16.9 1.0 C2D A:HEM470 4.3 20.4 1.0 C2C A:HEM470 4.3 18.4 1.0 C3C A:HEM470 4.3 18.6 1.0 C3A A:HEM470 4.3 14.8 1.0 C2A A:HEM470 4.3 15.4 1.0 O A:ALA256 4.4 22.3 1.0 N A:GLY396 4.8 15.6 1.0 C A:CYS394 4.9 16.9 1.0 CB A:ALA256 4.9 22.4 1.0 N A:VAL395 5.0 17.3 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