Iron in PDB 2d0e: Substrate Assited in Oxygen Activation in Cytochrome P450 158A2

The structure of Substrate Assited in Oxygen Activation in Cytochrome P450 158A2, PDB code: 2d0e was solved by B.Zhao, M.R.Waterman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.823, 69.199, 103.754, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 28.1

The binding sites of Iron atom in the Substrate Assited in Oxygen Activation in Cytochrome P450 158A2 (pdb code 2d0e). 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 Substrate Assited in Oxygen Activation in Cytochrome P450 158A2, PDB code: 2d0e:

Iron binding site 1 out of 1 in the Substrate Assited in Oxygen Activation in Cytochrome P450 158A2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Substrate Assited in Oxygen Activation in Cytochrome P450 158A2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe408 b:26.0 occ:1.00 FE A:HEM408 0.0 26.0 1.0 ND A:HEM408 2.0 22.5 1.0 NB A:HEM408 2.0 22.9 1.0 NC A:HEM408 2.0 23.0 1.0 NA A:HEM408 2.0 24.8 1.0 SG A:CYS353 2.6 24.0 1.0 C4D A:HEM408 3.0 22.9 1.0 C1A A:HEM408 3.0 23.2 1.0 C1B A:HEM408 3.0 24.6 1.0 C1C A:HEM408 3.0 24.1 1.0 C1D A:HEM408 3.1 23.6 1.0 C4A A:HEM408 3.1 25.4 1.0 C4B A:HEM408 3.1 25.9 1.0 C4C A:HEM408 3.1 24.2 1.0 CHA A:HEM408 3.4 21.2 1.0 CB A:CYS353 3.4 26.6 1.0 CHB A:HEM408 3.4 25.6 1.0 CHD A:HEM408 3.4 24.3 1.0 CHC A:HEM408 3.4 23.9 1.0 CAF A:NQ409 3.7 48.0 1.0 CAD A:NQ409 4.0 47.9 1.0 C3D A:HEM408 4.3 23.2 1.0 C2A A:HEM408 4.3 25.7 1.0 C2D A:HEM408 4.3 24.0 1.0 C3A A:HEM408 4.3 23.2 1.0 C2B A:HEM408 4.3 27.2 1.0 C3B A:HEM408 4.3 25.1 1.0 C2C A:HEM408 4.3 21.0 1.0 C3C A:HEM408 4.3 23.8 1.0 CA A:CYS353 4.4 26.5 1.0 CAL A:NQ409 4.4 47.7 1.0 OAA A:NQ409 4.7 48.7 1.0 CAJ A:NQ409 4.8 48.2 1.0 CAE A:NQ409 4.8 47.9 1.0

B.Zhao, F.P.Guengerich, M.Voehler, M.R.Waterman. Role of Active Site Water Molecules and Substrate Hydroxyl Groups in Oxygen Activation By Cytochrome P450 158A2: A New Mechanism of Proton Transfer J.Biol.Chem. V. 280 42188 2005.
ISSN: ISSN 0021-9258
PubMed: 16239228
DOI: 10.1074/JBC.M509220200