Iron in PDB 4rm4: The Crystal Structure of the Versatile Cytochrome P450 Enzyme CYP109B1 From Bacillus Subtilis

The structure of The Crystal Structure of the Versatile Cytochrome P450 Enzyme CYP109B1 From Bacillus Subtilis, PDB code: 4rm4 was solved by W.H.Zhouw, A.L.Zhang, T.Zhang, E.A.Hall, S.Hutchinson, M.J.Cryle, L.-L.Wong, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.94 / 1.77
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.996, 67.573, 56.406, 90.00, 113.04, 90.00
R / Rfree (%)	20.2 / 25.3

The binding sites of Iron atom in the The Crystal Structure of the Versatile Cytochrome P450 Enzyme CYP109B1 From Bacillus Subtilis (pdb code 4rm4). 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 The Crystal Structure of the Versatile Cytochrome P450 Enzyme CYP109B1 From Bacillus Subtilis, PDB code: 4rm4:

Iron binding site 1 out of 1 in the The Crystal Structure of the Versatile Cytochrome P450 Enzyme CYP109B1 From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of the Versatile Cytochrome P450 Enzyme CYP109B1 From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:16.4 occ:1.00 FE A:HEM401 0.0 16.4 1.0 NB A:HEM401 2.0 15.7 1.0 NA A:HEM401 2.1 12.2 1.0 NC A:HEM401 2.1 18.8 1.0 ND A:HEM401 2.1 13.2 1.0 SG A:CYS349 2.3 14.6 1.0 O A:HOH528 2.4 24.4 1.0 C1B A:HEM401 3.0 13.2 1.0 C4B A:HEM401 3.1 14.3 1.0 C1A A:HEM401 3.1 15.7 1.0 C4D A:HEM401 3.1 15.7 1.0 C4C A:HEM401 3.1 13.0 1.0 C4A A:HEM401 3.1 12.2 1.0 C1D A:HEM401 3.1 15.4 1.0 C1C A:HEM401 3.1 16.3 1.0 CB A:CYS349 3.4 13.1 1.0 CHA A:HEM401 3.4 14.0 1.0 CHB A:HEM401 3.4 12.7 1.0 CHD A:HEM401 3.4 14.6 1.0 CHC A:HEM401 3.5 12.7 1.0 CA A:CYS349 4.0 14.1 1.0 O A:ALA239 4.1 16.5 1.0 C2B A:HEM401 4.3 11.6 1.0 C3B A:HEM401 4.3 11.0 1.0 C2A A:HEM401 4.3 15.0 1.0 C3C A:HEM401 4.3 14.1 1.0 C3A A:HEM401 4.3 14.6 1.0 C2C A:HEM401 4.3 13.2 1.0 C3D A:HEM401 4.3 13.2 1.0 C2D A:HEM401 4.3 16.5 1.0 CB A:ALA239 4.5 16.2 1.0 N A:GLY351 4.6 12.7 1.0 C A:CYS349 4.7 13.1 1.0 C A:ALA239 4.8 18.2 1.0 N A:LEU350 4.8 13.0 1.0

A.Zhang, T.Zhang, E.A.Hall, S.Hutchinson, M.J.Cryle, L.L.Wong, W.Zhou, S.G.Bell. The Crystal Structure of the Versatile Cytochrome P450 Enzyme CYP109B1 From Bacillus Subtilis. Mol Biosyst 2015.
ISSN: ESSN 1742-2051
PubMed: 25587700
DOI: 10.1039/C4MB00665H