Iron in PDB 2q9f: Crystal Structure of Human Cytochrome P450 46A1 in Complex with Cholesterol-3-Sulphate

All present enzymatic activity of Crystal Structure of Human Cytochrome P450 46A1 in Complex with Cholesterol-3-Sulphate:
1.14.13.98;

The structure of Crystal Structure of Human Cytochrome P450 46A1 in Complex with Cholesterol-3-Sulphate, PDB code: 2q9f was solved by M.A.White, N.V.Mast, E.F.Johnson, C.D.Stout, I.A.Pikuleva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.08 / 1.90
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	121.850, 121.850, 144.030, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.6

The binding sites of Iron atom in the Crystal Structure of Human Cytochrome P450 46A1 in Complex with Cholesterol-3-Sulphate (pdb code 2q9f). 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 Crystal Structure of Human Cytochrome P450 46A1 in Complex with Cholesterol-3-Sulphate, PDB code: 2q9f:

Iron binding site 1 out of 1 in the Crystal Structure of Human Cytochrome P450 46A1 in Complex with Cholesterol-3-Sulphate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Human Cytochrome P450 46A1 in Complex with Cholesterol-3-Sulphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:28.9 occ:1.00 FE A:HEM602 0.0 28.9 1.0 NB A:HEM602 2.0 27.8 1.0 ND A:HEM602 2.1 28.6 1.0 NA A:HEM602 2.1 26.5 1.0 NC A:HEM602 2.1 27.5 1.0 SG A:CYS437 2.3 31.6 1.0 O A:HOH732 2.9 40.8 1.0 C4B A:HEM602 3.0 27.0 1.0 C1C A:HEM602 3.0 27.9 1.0 C1B A:HEM602 3.1 29.3 1.0 C1D A:HEM602 3.1 29.2 1.0 C1A A:HEM602 3.1 27.8 1.0 C4D A:HEM602 3.1 28.8 1.0 C4A A:HEM602 3.1 28.2 1.0 C4C A:HEM602 3.1 28.9 1.0 CHC A:HEM602 3.3 26.6 1.0 CHB A:HEM602 3.4 27.4 1.0 CHD A:HEM602 3.4 28.2 1.0 CHA A:HEM602 3.4 29.4 1.0 CB A:CYS437 3.4 31.9 1.0 CA A:CYS437 4.2 31.4 1.0 C3B A:HEM602 4.2 26.8 1.0 C2A A:HEM602 4.2 32.4 1.0 C2C A:HEM602 4.3 27.3 1.0 C2D A:HEM602 4.3 29.8 1.0 C2B A:HEM602 4.3 28.3 1.0 C3A A:HEM602 4.3 28.1 1.0 C3D A:HEM602 4.3 29.4 1.0 C3C A:HEM602 4.3 28.6 1.0 O A:ALA302 4.7 31.4 1.0 N A:GLY439 4.7 30.0 1.0 OG1 A:THR306 4.8 47.4 1.0 C A:CYS437 4.9 32.1 1.0 CB A:ALA302 5.0 27.8 1.0

N.Mast, M.A.White, I.Bjorkhem, E.F.Johnson, C.D.Stout, I.A.Pikuleva. Crystal Structures of Substrate-Bound and Substrate-Free Cytochrome P450 46A1, the Principal Cholesterol Hydroxylase in the Brain. Proc.Natl.Acad.Sci.Usa V. 105 9546 2008.
ISSN: ISSN 0027-8424
PubMed: 18621681
DOI: 10.1073/PNAS.0803717105